CID 5483228

5099-06-9

Structural Information

Molecular Formula
C13H9ClN2O4
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2O)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H9ClN2O4/c14-9-6-10(12(17)7-11(9)16(19)20)15-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,15,18)
InChIKey
WVYLJZGKLNZWTE-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-hydroxy-4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

292.0251 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe