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]+ 381.063676 187.0
[M+Na]+ 403.045618 192.0
[M-H]- 379.049124 196.2
[M+NH4]+ 398.090223 197.2
[M+K]+ 419.019558 182.6
[M+H-H2O]+ 363.053660 182.4
[M+HCOO]- 425.054601 206.5
[M+CH3COO]- 439.070251 212.6
[M+Na-2H]- 401.031066 190.7
[M]+ 380.05585142 187.2
[M]- 380.05694858 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.