CID 229359

4-(phenylsulfamoyl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

277.0409 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.048176 158.5
[M+Na]+ 300.030118 165.7
[M-H]- 276.033624 164.2
[M+NH4]+ 295.074723 173.5
[M+K]+ 316.004058 161.4
[M+H-H2O]+ 260.038160 151.5
[M+HCOO]- 322.039101 176.4
[M+CH3COO]- 336.054751 193.6
[M+Na-2H]- 298.015566 163.5
[M]+ 277.04035142 159.7
[M]- 277.04144858 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