CID 80981

6490-98-8

Structural Information

Molecular Formula
C13H9ClN2O4
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)Cl
InChI
InChI=1S/C13H9ClN2O4/c14-8-1-3-9(4-2-8)15-13(18)11-7-10(16(19)20)5-6-12(11)17/h1-7,17H,(H,15,18)
InChIKey
CDYKTFABNOULII-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-hydroxy-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

75
Patents

292.0251 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03238 160.1
[M+Na]+ 315.01432 174.6
[M+NH4]+ 310.05892 167.5
[M+K]+ 330.98826 170.7
[M-H]- 291.01782 165.1
[M+Na-2H]- 312.99977 167.9
[M]+ 292.02455 163.7
[M]- 292.02565 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe