CID 139597506

4-(aminosulfonyl)-5-methyl-3-thiophenecarboxylic acid

Structural Information

Molecular Formula
C6H7NO4S2
SMILES
CC1=C(C(=CS1)C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C6H7NO4S2/c1-3-5(13(7,10)11)4(2-12-3)6(8)9/h2H,1H3,(H,8,9)(H2,7,10,11)
InChIKey
VPXWITYNJWPYDU-UHFFFAOYSA-N
Compound name
5-methyl-4-sulfamoylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3
Patents

220.98164 Da
Monoisotopic Mass

0.1
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

literature stripe

Patent stripe

patents stripe