CID 695261

N-(4-chlorophenyl)-2-nitrobenzamide

Structural Information

Molecular Formula
C13H9ClN2O3
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H9ClN2O3/c14-9-5-7-10(8-6-9)15-13(17)11-3-1-2-4-12(11)16(18)19/h1-8H,(H,15,17)
InChIKey
XCENMAGLUPDPPI-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

276.03018 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03746 158.4
[M+Na]+ 299.01940 165.2
[M-H]- 275.02290 165.0
[M+NH4]+ 294.06400 173.8
[M+K]+ 314.99334 156.7
[M+H-H2O]+ 259.02744 156.2
[M+HCOO]- 321.02838 179.9
[M+CH3COO]- 335.04403 192.4
[M+Na-2H]- 297.00485 165.0
[M]+ 276.02963 158.4
[M]- 276.03073 158.4
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