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 144.4
[M+Na]+ 243.97086 153.5
[M-H]- 219.97436 146.6
[M+NH4]+ 239.01546 163.7
[M+K]+ 259.94480 149.5
[M+H-H2O]+ 203.97890 139.6
[M+HCOO]- 265.97984 156.8
[M+CH3COO]- 279.99549 182.0
[M+Na-2H]- 241.95631 144.2
[M]+ 220.98109 146.4
[M]- 220.98219 146.4
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