CID 16773945

132864-57-4

Structural Information

Molecular Formula
C6H7NO4S2
SMILES
CS(=O)(=O)NC1=C(SC=C1)C(=O)O
InChI
InChI=1S/C6H7NO4S2/c1-13(10,11)7-4-2-3-12-5(4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChIKey
NKUCNZKDJQOJFT-UHFFFAOYSA-N
Compound name
3-(methanesulfonamido)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

220.98164 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.988916 144.9
[M+Na]+ 243.970858 153.3
[M-H]- 219.974364 147.4
[M+NH4]+ 239.015463 164.3
[M+K]+ 259.944798 149.7
[M+H-H2O]+ 203.978900 139.9
[M+HCOO]- 265.979841 158.1
[M+CH3COO]- 279.995491 181.4
[M+Na-2H]- 241.956306 146.3
[M]+ 220.98109142 147.5
[M]- 220.98218858 147.5
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