CID 72106547

3-((2-chlorophenyl)sulfamoyl)-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C13H10ClNO5S
SMILES
C1=CC=C(C(=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)O)Cl
InChI
InChI=1S/C13H10ClNO5S/c14-9-3-1-2-4-10(9)15-21(19,20)12-7-8(13(17)18)5-6-11(12)16/h1-7,15-16H,(H,17,18)
InChIKey
JBMDCKKBGUPPRL-UHFFFAOYSA-N
Compound name
3-[(2-chlorophenyl)sulfamoyl]-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.99683 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.00411 168.7
[M+Na]+ 349.98605 180.6
[M+NH4]+ 345.03065 174.7
[M+K]+ 365.95999 174.3
[M-H]- 325.98955 170.2
[M+Na-2H]- 347.97150 174.9
[M]+ 326.99628 171.4
[M]- 326.99738 171.4
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

No patent data available for this compound.