CID 4119158

N-(4-chloro-phenyl)-3-(4-nitro-phenyl)-3-oxo-propionamide

Structural Information

Molecular Formula
C15H11ClN2O4
SMILES
C1=CC(=CC=C1C(=O)CC(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H11ClN2O4/c16-11-3-5-12(6-4-11)17-15(20)9-14(19)10-1-7-13(8-2-10)18(21)22/h1-8H,9H2,(H,17,20)
InChIKey
KCDCLERXGUABSG-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.04074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04802 169.3
[M+Na]+ 341.02996 175.0
[M-H]- 317.03346 175.7
[M+NH4]+ 336.07456 182.7
[M+K]+ 357.00390 166.7
[M+H-H2O]+ 301.03800 166.7
[M+HCOO]- 363.03894 189.6
[M+CH3COO]- 377.05459 200.3
[M+Na-2H]- 339.01541 173.9
[M]+ 318.04019 170.0
[M]- 318.04129 170.0
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.