Metabolite 4'-OH-deltamethrin

Name

4'-OH-deltamethrin

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 521.205
Monoisotopic: 518.968084

Chemical Formula

C₂₂H₁₉Br₂NO₄

InChI Key

RLMJIYYRLVNAOJ-UHFFFAOYSA-N

InChI

InChI=1S/C22H19Br2NO4/c1-22(2)17(11-19(23)24)20(22)21(27)29-18(12-25)13-4-3-5-16(10-13)28-15-8-6-14(26)7-9-15/h3-11,17-18,20,26H,1-2H3

IUPAC Name

cyano[3-(4-hydroxyphenoxy)phenyl]methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate

SMILES

[H]C(=C(Br)Br)C1([H])C([H])(C(=O)OC([H])(C#N)C2=C([H])C(OC3=C([H])C([H])=C(O)C([H])=C3[H])=C([H])C([H])=C2[H])C1(C([H])([H])[H])C([H])([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-4051190000-a9cb0bf367d30cb49aff
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0090030000-8570ab695fa51fb98f4e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00xs-5090120000-2ac7d771d10fd9a9d592
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0490110000-b6ba7371830a3493943d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-3240900000-230b8eabc969cea74bd4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01c3-3960110000-8ff7f0867a56437b370e

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	203.81433	predicted	DeepCCS 1.0 (2019)
[M+H]+	205.70975	predicted	DeepCCS 1.0 (2019)
[M+Na]+	211.48769	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties