CID 519377

3-chlorobenzenesulfonamide

Structural Information

Molecular Formula

C₆H₆ClNO₂S

SMILES

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

InChI

InChI=1S/C6H6ClNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)

InChIKey

WSYQJNPRQUFCGL-UHFFFAOYSA-N

Compound name

3-chlorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 656
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	135.9
[M+Na]+	213.96999	148.2
[M+NH4]+	209.01459	144.5
[M+K]+	229.94393	140.7
[M-H]-	189.97349	137.5
[M+Na-2H]-	211.95544	142.2
[M]+	190.98022	138.8
[M]-	190.98132	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe