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

8
Patents

220.98164 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.988916 144.4
[M+Na]+ 243.970858 153.5
[M-H]- 219.974364 146.6
[M+NH4]+ 239.015463 163.7
[M+K]+ 259.944798 149.5
[M+H-H2O]+ 203.978900 139.6
[M+HCOO]- 265.979841 156.8
[M+CH3COO]- 279.995491 182.0
[M+Na-2H]- 241.956306 144.2
[M]+ 220.98109142 146.4
[M]- 220.98218858 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