CID 229331

N-(4-chlorophenyl)-3-nitrobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

276.03018 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.037456 158.4
[M+Na]+ 299.019398 165.2
[M-H]- 275.022904 165.0
[M+NH4]+ 294.064003 173.8
[M+K]+ 314.993338 156.7
[M+H-H2O]+ 259.027440 156.2
[M+HCOO]- 321.028381 179.9
[M+CH3COO]- 335.044031 192.4
[M+Na-2H]- 297.004846 165.0
[M]+ 276.02963142 158.4
[M]- 276.03072858 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