CID 3042285

4-sulfamoylthiophene-3-carboxylic acid

Structural Information

Molecular Formula
C5H5NO4S2
SMILES
C1=C(C(=CS1)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C5H5NO4S2/c6-12(9,10)4-2-11-1-3(4)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)
InChIKey
VAHHPJSRCPYDLP-UHFFFAOYSA-N
Compound name
4-sulfamoylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

206.966 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe