CID 41749

56157-93-8

Structural Information

Molecular Formula

C₆H₅ClO₃S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)Cl)O

InChI

InChI=1S/C6H5ClO3S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4,8H

InChIKey

KVJJEIFIJQCJSP-UHFFFAOYSA-N

Compound name

3-hydroxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 191.9648 Da
Monoisotopic Mass: 1.6
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]+	192.972076	131.8
[M+Na]+	214.954018	142.4
[M-H]-	190.957524	135.3
[M+NH4]+	209.998623	152.3
[M+K]+	230.927958	138.2
[M+H-H2O]+	174.962060	128.3
[M+HCOO]-	236.963001	145.5
[M+CH3COO]-	250.978651	173.2
[M+Na-2H]-	212.939466	137.4
[M]+	191.96425142	135.5
[M]-	191.96534858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe