CID 673728

N-(3-acetylphenyl)-4-chlorobenzamide

Structural Information

Molecular Formula
C15H12ClNO2
SMILES
CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H12ClNO2/c1-10(18)12-3-2-4-14(9-12)17-15(19)11-5-7-13(16)8-6-11/h2-9H,1H3,(H,17,19)
InChIKey
CVLAIHFFZMMZAG-UHFFFAOYSA-N
Compound name
N-(3-acetylphenyl)-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

273.05566 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06294 159.4
[M+Na]+ 296.04488 167.4
[M-H]- 272.04838 166.3
[M+NH4]+ 291.08948 176.1
[M+K]+ 312.01882 162.4
[M+H-H2O]+ 256.05292 152.8
[M+HCOO]- 318.05386 178.9
[M+CH3COO]- 332.06951 199.4
[M+Na-2H]- 294.03033 163.0
[M]+ 273.05511 161.4
[M]- 273.05621 161.4
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