CID 3870773

4-(2-chloro-5-nitrobenzenesulfonamido)benzoic acid

Structural Information

Molecular Formula
C13H9ClN2O6S
SMILES
C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H9ClN2O6S/c14-11-6-5-10(16(19)20)7-12(11)23(21,22)15-9-3-1-8(2-4-9)13(17)18/h1-7,15H,(H,17,18)
InChIKey
WADZTWKEIJQZED-UHFFFAOYSA-N
Compound name
4-[(2-chloro-5-nitrophenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.987 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99428 170.1
[M+Na]+ 378.97622 182.3
[M+NH4]+ 374.02082 175.7
[M+K]+ 394.95016 178.9
[M-H]- 354.97972 173.0
[M+Na-2H]- 376.96167 176.5
[M]+ 355.98645 173.1
[M]- 355.98755 173.1
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.