CID 43314426

3-methyl-5-sulfamoylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C6H7NO4S2
SMILES
CC1=C(SC(=C1)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C6H7NO4S2/c1-3-2-4(13(7,10)11)12-5(3)6(8)9/h2H,1H3,(H,8,9)(H2,7,10,11)
InChIKey
GPBSXYJGJLBVJZ-UHFFFAOYSA-N
Compound name
3-methyl-5-sulfamoylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

220.98164 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.98892 147.4
[M+Na]+ 243.97086 154.3
[M+NH4]+ 239.01546 153.5
[M+K]+ 259.94480 150.3
[M-H]- 219.97436 146.1
[M+Na-2H]- 241.95631 148.4
[M]+ 220.98109 148.5
[M]- 220.98219 148.5
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