CID 7329

Fenticlor

Structural Information

Molecular Formula

C₁₂H₈Cl₂O₂S

SMILES

C1=CC(=C(C=C1Cl)SC2=C(C=CC(=C2)Cl)O)O

InChI

InChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H

InChIKey

ANUSOIHIIPAHJV-UHFFFAOYSA-N

Compound name

4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 431
References: 27389
Patents: 285.96222 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	286.96950	158.6
[M+Na]+	308.95144	175.0
[M+NH4]+	303.99604	168.2
[M+K]+	324.92538	164.5
[M-H]-	284.95494	162.9
[M+Na-2H]-	306.93689	166.9
[M]+	285.96167	163.4
[M]-	285.96277	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe