CID 992605

5-(3-carboxy-4-chlorobenzenesulfonamido)-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C14H10ClNO7S
SMILES
C1=CC(=C(C=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C(=O)O)O
InChI
InChI=1S/C14H10ClNO7S/c15-11-3-2-8(6-9(11)13(18)19)24(22,23)16-7-1-4-12(17)10(5-7)14(20)21/h1-6,16-17H,(H,18,19)(H,20,21)
InChIKey
NVJQJPNTFUDJBM-UHFFFAOYSA-N
Compound name
5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.98666 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.99394 173.1
[M+Na]+ 393.97588 180.8
[M-H]- 369.97938 176.9
[M+NH4]+ 389.02048 183.9
[M+K]+ 409.94982 175.9
[M+H-H2O]+ 353.98392 167.7
[M+HCOO]- 415.98486 182.8
[M+CH3COO]- 430.00051 206.9
[M+Na-2H]- 391.96133 174.7
[M]+ 370.98611 177.5
[M]- 370.98721 177.5
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