CID 54267223

(thiophen-2-yl)methanesulfonamide

Structural Information

Molecular Formula

C₅H₇NO₂S₂

SMILES

C1=CSC(=C1)CS(=O)(=O)N

InChI

InChI=1S/C5H7NO2S2/c6-10(7,8)4-5-2-1-3-9-5/h1-3H,4H2,(H2,6,7,8)

InChIKey

AQGBUFLXOVPINW-UHFFFAOYSA-N

Compound name

thiophen-2-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 176.99182 Da
Monoisotopic Mass: 0.1
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]+	177.99910	136.1
[M+Na]+	199.98104	144.5
[M+NH4]+	195.02564	144.4
[M+K]+	215.95498	138.2
[M-H]-	175.98454	136.9
[M+Na-2H]-	197.96649	139.5
[M]+	176.99127	138.2
[M]-	176.99237	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe