Metabolite Fenthion oxon

Name

Fenthion oxon

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 262.26
Monoisotopic: 262.042867135

Chemical Formula

C₁₀H₁₅O₄PS

InChI Key

ZNRZGJAHNMGWQN-UHFFFAOYSA-N

InChI

InChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3

IUPAC Name

dimethyl 3-methyl-4-(methylsulfanyl)phenyl phosphate

SMILES

COP(=O)(OC)OC1=CC=C(SC)C(C)=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0390000000-6fd0f7f7ec203052c160
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-2090000000-f15d51440ca7339a31b1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01ox-9160000000-77533ea39e0b725be2a6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0aor-2940000000-ce49d141f2067fae257c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-c5f13b528014c2d6cfb5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a6u-9500000000-52b07d6fe234a65c81ce

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	167.6084965	predicted	DarkChem Lite v0.1.0
[M-H]-	153.68086	predicted	DeepCCS 1.0 (2019)
[M+H]+	169.5737965	predicted	DarkChem Lite v0.1.0
[M+H]+	156.03888	predicted	DeepCCS 1.0 (2019)
[M+Na]+	168.4458965	predicted	DarkChem Lite v0.1.0
[M+Na]+	162.13216	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties