CID 20471888

2-sulfamoylthiophene-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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

No literature data available for this compound.

Patent stripe

patents stripe