CID 792201

3-[(phenylsulfonyl)amino]benzoic acid

Structural Information

Molecular Formula
C13H11NO4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C13H11NO4S/c15-13(16)10-5-4-6-11(9-10)14-19(17,18)12-7-2-1-3-8-12/h1-9,14H,(H,15,16)
InChIKey
RELBUFSHELNQKC-UHFFFAOYSA-N
Compound name
3-(benzenesulfonamido)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

69
Patents

277.0409 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04818 158.5
[M+Na]+ 300.03012 165.7
[M-H]- 276.03362 164.2
[M+NH4]+ 295.07472 173.5
[M+K]+ 316.00406 161.4
[M+H-H2O]+ 260.03816 151.5
[M+HCOO]- 322.03910 176.4
[M+CH3COO]- 336.05475 193.6
[M+Na-2H]- 298.01557 163.5
[M]+ 277.04035 159.7
[M]- 277.04145 159.7
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