CID 306565

157488-07-8

Structural Information

Molecular Formula
C20H13ClN2O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H13ClN2O4/c21-15-8-11-18(17(12-15)19(24)13-4-2-1-3-5-13)22-20(25)14-6-9-16(10-7-14)23(26)27/h1-12H,(H,22,25)
InChIKey
KIEGXLJFCOKEHD-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.0564 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.06368 187.0
[M+Na]+ 403.04562 192.0
[M-H]- 379.04912 196.2
[M+NH4]+ 398.09022 197.2
[M+K]+ 419.01956 182.6
[M+H-H2O]+ 363.05366 182.4
[M+HCOO]- 425.05460 206.5
[M+CH3COO]- 439.07025 212.6
[M+Na-2H]- 401.03107 190.7
[M]+ 380.05585 187.2
[M]- 380.05695 187.2
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.