CID 116503

Benzenesulfonamide, p-mercapto-

Structural Information

Molecular Formula

C₆H₇NO₂S₂

SMILES

C1=CC(=CC=C1S)S(=O)(=O)N

InChI

InChI=1S/C6H7NO2S2/c7-11(8,9)6-3-1-5(10)2-4-6/h1-4,10H,(H2,7,8,9)

InChIKey

FBAKLWSUNAWWQT-UHFFFAOYSA-N

Compound name

4-sulfanylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 188.99182 Da
Monoisotopic Mass: 0.8
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]+	189.99910	135.0
[M+Na]+	211.98104	144.3
[M-H]-	187.98454	138.5
[M+NH4]+	207.02564	154.7
[M+K]+	227.95498	139.8
[M+H-H2O]+	171.98908	129.5
[M+HCOO]-	233.99002	148.8
[M+CH3COO]-	248.00567	179.1
[M+Na-2H]-	209.96649	138.4
[M]+	188.99127	136.0
[M]-	188.99237	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe