CID 506053

28547-16-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

142
Patents

277.0409 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04818 158.7
[M+Na]+ 300.03012 170.2
[M+NH4]+ 295.07472 165.4
[M+K]+ 316.00406 163.5
[M-H]- 276.03362 161.1
[M+Na-2H]- 298.01557 166.3
[M]+ 277.04035 161.3
[M]- 277.04145 161.3
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