CID 800088

3-(thiophene-2-sulfonamido)benzoic acid

Structural Information

Molecular Formula
C11H9NO4S2
SMILES
C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)C(=O)O
InChI
InChI=1S/C11H9NO4S2/c13-11(14)8-3-1-4-9(7-8)12-18(15,16)10-5-2-6-17-10/h1-7,12H,(H,13,14)
InChIKey
HGLIUHOTRGFJQZ-UHFFFAOYSA-N
Compound name
3-(thiophen-2-ylsulfonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

282.9973 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.00458 161.3
[M+Na]+ 305.98652 169.3
[M-H]- 281.99002 166.9
[M+NH4]+ 301.03112 178.1
[M+K]+ 321.96046 164.3
[M+H-H2O]+ 265.99456 155.4
[M+HCOO]- 327.99550 174.9
[M+CH3COO]- 342.01115 192.0
[M+Na-2H]- 303.97197 163.2
[M]+ 282.99675 163.6
[M]- 282.99785 163.6
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