CID 77635

N-(2-benzoyl-4-chlorophenyl)-2-chloroacetamide

Structural Information

Molecular Formula
C15H11Cl2NO2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCl
InChI
InChI=1S/C15H11Cl2NO2/c16-9-14(19)18-13-7-6-11(17)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKey
HDXLZRWEZZFDKA-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

67
Patents

307.0167 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.023976 165.2
[M+Na]+ 330.005918 173.6
[M-H]- 306.009424 171.3
[M+NH4]+ 325.050523 180.9
[M+K]+ 345.979858 167.2
[M+H-H2O]+ 290.013960 159.3
[M+HCOO]- 352.014901 179.5
[M+CH3COO]- 366.030551 203.7
[M+Na-2H]- 327.991366 168.1
[M]+ 307.01615142 168.6
[M]- 307.01724858 168.6
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