CID 673695

N-(4-acetylphenyl)-4-chlorobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

273.05566 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.062936 159.4
[M+Na]+ 296.044878 167.4
[M-H]- 272.048384 166.3
[M+NH4]+ 291.089483 176.1
[M+K]+ 312.018818 162.4
[M+H-H2O]+ 256.052920 152.8
[M+HCOO]- 318.053861 178.9
[M+CH3COO]- 332.069511 199.4
[M+Na-2H]- 294.030326 163.0
[M]+ 273.05511142 161.4
[M]- 273.05620858 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