CID 688188

2'-chloro-2-(4-nitrobenzoyl)acetanilide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
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

literature stripe

Patent stripe

patents stripe