CID 16768837

5-(methylsulfamoyl)-2-(thiophen-2-yl)benzoic acid

Structural Information

Molecular Formula
C12H11NO4S2
SMILES
CNS(=O)(=O)C1=CC(=C(C=C1)C2=CC=CS2)C(=O)O
InChI
InChI=1S/C12H11NO4S2/c1-13-19(16,17)8-4-5-9(10(7-8)12(14)15)11-3-2-6-18-11/h2-7,13H,1H3,(H,14,15)
InChIKey
PUOCKBRDRBVSBT-UHFFFAOYSA-N
Compound name
5-(methylsulfamoyl)-2-thiophen-2-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.01294 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.02022 164.7
[M+Na]+ 320.00216 173.7
[M+NH4]+ 315.04676 171.3
[M+K]+ 335.97610 167.8
[M-H]- 296.00566 166.3
[M+Na-2H]- 317.98761 169.4
[M]+ 297.01239 167.1
[M]- 297.01349 167.1
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

No patent data available for this compound.