CID 873172

4-(thiophene-2-sulfonamido)benzoic acid

Structural Information

Molecular Formula
C11H9NO4S2
SMILES
C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H9NO4S2/c13-11(14)8-3-5-9(6-4-8)12-18(15,16)10-2-1-7-17-10/h1-7,12H,(H,13,14)
InChIKey
VWLSKCBAWSAIAM-UHFFFAOYSA-N
Compound name
4-(thiophen-2-ylsulfonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
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

literature stripe

Patent stripe

patents stripe