CID 341066

5-sulfamoylthiophene-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

206.966 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.97328 140.9
[M+Na]+ 229.95522 149.7
[M-H]- 205.95872 143.0
[M+NH4]+ 224.99982 160.5
[M+K]+ 245.92916 146.0
[M+H-H2O]+ 189.96326 136.1
[M+HCOO]- 251.96420 153.7
[M+CH3COO]- 265.97985 177.8
[M+Na-2H]- 227.94067 141.7
[M]+ 206.96545 142.2
[M]- 206.96655 142.2
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