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]+ 372.989176 172.6
[M+Na]+ 394.971118 178.9
[M-H]- 370.974624 177.3
[M+NH4]+ 390.015723 182.9
[M+K]+ 410.945058 170.0
[M+H-H2O]+ 354.979160 171.1
[M+HCOO]- 416.980101 185.3
[M+CH3COO]- 430.995751 201.6
[M+Na-2H]- 392.956566 178.1
[M]+ 371.98135142 174.6
[M]- 371.98244858 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.