CID 7398

4-chlorobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₆H₄Cl₂O₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)Cl)Cl

InChI

InChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H

InChIKey

ZLYBFBAHAQEEQQ-UHFFFAOYSA-N

Compound name

4-chlorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 20
References: 7895
Patents: 209.93091 Da
Monoisotopic Mass: 1.8
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]+	210.93819	134.0
[M+Na]+	232.92013	145.4
[M-H]-	208.92363	138.4
[M+NH4]+	227.96473	154.9
[M+K]+	248.89407	140.4
[M+H-H2O]+	192.92817	131.2
[M+HCOO]-	254.92911	143.9
[M+CH3COO]-	268.94476	178.7
[M+Na-2H]-	230.90558	139.2
[M]+	209.93036	139.0
[M]-	209.93146	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.