CID 3821846

5-(4-chloro-3-nitrobenzenesulfonamido)-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C13H9ClN2O7S
SMILES
C1=CC(=C(C=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O)O
InChI
InChI=1S/C13H9ClN2O7S/c14-10-3-2-8(6-11(10)16(20)21)24(22,23)15-7-1-4-12(17)9(5-7)13(18)19/h1-6,15,17H,(H,18,19)
InChIKey
ZHYGHPLLFOHMQK-UHFFFAOYSA-N
Compound name
5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.9819 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.98918 172.6
[M+Na]+ 394.97112 178.9
[M-H]- 370.97462 177.3
[M+NH4]+ 390.01572 182.9
[M+K]+ 410.94506 170.0
[M+H-H2O]+ 354.97916 171.1
[M+HCOO]- 416.98010 185.3
[M+CH3COO]- 430.99575 201.6
[M+Na-2H]- 392.95657 178.1
[M]+ 371.98135 174.6
[M]- 371.98245 174.6
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.