Metabolite 2-chloro-4-(piperazin-1-yl)phenol

Name

2-chloro-4-(piperazin-1-yl)phenol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

40ARJ48C0C

CAS number

Not Available

Weight

Average: 212.68
Monoisotopic: 212.0716407

Chemical Formula

C₁₀H₁₃ClN₂O

InChI Key

FXECOYYRPDGOQB-UHFFFAOYSA-N

InChI

InChI=1S/C10H13ClN2O/c11-9-7-8(1-2-10(9)14)13-5-3-12-4-6-13/h1-2,7,12,14H,3-6H2

IUPAC Name

2-chloro-4-(piperazin-1-yl)phenol

SMILES

[H]C1=C([H])C(=C([H])C(Cl)=C1O)N1C([H])([H])C([H])([H])NC([H])([H])C1([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-3dc78ad63b4f45496625
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03e9-4090000000-58cb6bc89997e4af3551
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03k9-1980000000-d3d4b73f9db24a672e7a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03e9-3960000000-609ca4dd60c32c2899e1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001l-1900000000-225f76316415b8124c44
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9600000000-cafe6b736157527ec149

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	148.61537	predicted	DeepCCS 1.0 (2019)
[M+H]+	151.00163	predicted	DeepCCS 1.0 (2019)
[M+Na]+	156.91415	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties