CID 31382

N-chlorobenzenesulfonamide

Structural Information

Molecular Formula

C₆H₆ClNO₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)NCl

InChI

InChI=1S/C6H6ClNO2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H

InChIKey

CHVZPRDGLWBEMJ-UHFFFAOYSA-N

Compound name

N-chlorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 32
References: 3004
Patents: 190.98077 Da
Monoisotopic Mass: 1.3
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]+	191.98805	133.6
[M+Na]+	213.96999	143.0
[M-H]-	189.97349	137.9
[M+NH4]+	209.01459	154.2
[M+K]+	229.94393	138.9
[M+H-H2O]+	173.97803	129.2
[M+HCOO]-	235.97897	149.5
[M+CH3COO]-	249.99462	177.4
[M+Na-2H]-	211.95544	140.5
[M]+	190.98022	136.6
[M]-	190.98132	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe