CID 2760555

352615-90-8

Structural Information

Molecular Formula
C13H11NO4S
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C13H11NO4S/c14-19(17,18)12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-8H,(H,15,16)(H2,14,17,18)
InChIKey
LYHKPAIFSGHBPU-UHFFFAOYSA-N
Compound name
4-(2-sulfamoylphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

277.0409 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04818 158.8
[M+Na]+ 300.03012 166.8
[M-H]- 276.03362 164.3
[M+NH4]+ 295.07472 173.8
[M+K]+ 316.00406 162.3
[M+H-H2O]+ 260.03816 152.0
[M+HCOO]- 322.03910 176.0
[M+CH3COO]- 336.05475 194.3
[M+Na-2H]- 298.01557 162.1
[M]+ 277.04035 159.4
[M]- 277.04145 159.4
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