CID 16773945

132864-57-4

Structural Information

Molecular Formula

C₆H₇NO₄S₂

SMILES

CS(=O)(=O)NC1=C(SC=C1)C(=O)O

InChI

InChI=1S/C6H7NO4S2/c1-13(10,11)7-4-2-3-12-5(4)6(8)9/h2-3,7H,1H3,(H,8,9)

InChIKey

NKUCNZKDJQOJFT-UHFFFAOYSA-N

Compound name

3-(methanesulfonamido)thiophene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 220.98164 Da
Monoisotopic Mass: 1.0
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]+	221.98892	147.0
[M+Na]+	243.97086	153.9
[M+NH4]+	239.01546	153.2
[M+K]+	259.94480	149.4
[M-H]-	219.97436	145.8
[M+Na-2H]-	241.95631	148.7
[M]+	220.98109	148.1
[M]-	220.98219	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe