CID 8893231

5-sulfamoylthiophene-3-carboxylic acid

Structural Information

Molecular Formula
C5H5NO4S2
SMILES
C1=C(SC=C1C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C5H5NO4S2/c6-12(9,10)4-1-3(2-11-4)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)
InChIKey
VCKKTGHTBOTFEB-UHFFFAOYSA-N
Compound name
5-sulfamoylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

206.966 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.973276 140.9
[M+Na]+ 229.955218 149.7
[M-H]- 205.958724 143.0
[M+NH4]+ 224.999823 160.5
[M+K]+ 245.929158 146.0
[M+H-H2O]+ 189.963260 136.1
[M+HCOO]- 251.964201 153.7
[M+CH3COO]- 265.979851 177.8
[M+Na-2H]- 227.940666 141.7
[M]+ 206.96545142 142.2
[M]- 206.96654858 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

literature stripe

Patent stripe

patents stripe