CID 3042286

59337-97-2

Structural Information

Molecular Formula

C₅H₅NO₄S₂

SMILES

C1=CSC(=C1S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)

InChIKey

NRAVSUNXRBRPRE-UHFFFAOYSA-N

Compound name

3-sulfamoylthiophene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 51
Patents: 206.966 Da
Monoisotopic Mass: 0.0
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]+	207.97328	142.7
[M+Na]+	229.95522	149.5
[M+NH4]+	224.99982	149.0
[M+K]+	245.92916	145.5
[M-H]-	205.95872	141.4
[M+Na-2H]-	227.94067	144.2
[M]+	206.96545	143.8
[M]-	206.96655	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe