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

5
Annotation Hits: 431
References: 33214
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]+	286.969496	153.2
[M+Na]+	308.951438	164.4
[M-H]-	284.954944	158.0
[M+NH4]+	303.996043	170.2
[M+K]+	324.925378	156.9
[M+H-H2O]+	268.959480	149.4
[M+HCOO]-	330.960421	161.1
[M+CH3COO]-	344.976071	165.5
[M+Na-2H]-	306.936886	154.9
[M]+	285.96167142	157.8
[M]-	285.96276858	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe