CID 12206346

2,2-dichloro-n-(4-chlorophenyl)-3-oxo-3-phenylpropanamide

Structural Information

Molecular Formula

C₁₅H₁₀Cl₃NO₂

SMILES

C1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=C(C=C2)Cl)(Cl)Cl

InChI

InChI=1S/C15H10Cl3NO2/c16-11-6-8-12(9-7-11)19-14(21)15(17,18)13(20)10-4-2-1-3-5-10/h1-9H,(H,19,21)

InChIKey

NYVXFUCPSANXPE-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.97772 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	341.984996	170.9
[M+Na]+	363.966938	178.7
[M-H]-	339.970444	175.8
[M+NH4]+	359.011543	185.1
[M+K]+	379.940878	172.0
[M+H-H2O]+	323.974980	165.8
[M+HCOO]-	385.975921	178.3
[M+CH3COO]-	399.991571	207.7
[M+Na-2H]-	361.952386	174.2
[M]+	340.97717142	173.9
[M]-	340.97826858	173.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe