CID 54592494

2-chloro-n-[(3-chlorophenyl)(phenyl)methyl]acetamide

Structural Information

Molecular Formula

C₁₅H₁₃Cl₂NO

SMILES

C1=CC=C(C=C1)C(C2=CC(=CC=C2)Cl)NC(=O)CCl

InChI

InChI=1S/C15H13Cl2NO/c16-10-14(19)18-15(11-5-2-1-3-6-11)12-7-4-8-13(17)9-12/h1-9,15H,10H2,(H,18,19)

InChIKey

MOMPYSPOSDWLMO-UHFFFAOYSA-N

Compound name

2-chloro-N-[(3-chlorophenyl)-phenylmethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.0374 Da
Monoisotopic Mass: 4.0
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]+	294.044676	163.6
[M+Na]+	316.026618	170.9
[M-H]-	292.030124	169.2
[M+NH4]+	311.071223	179.7
[M+K]+	332.000558	164.4
[M+H-H2O]+	276.034660	157.5
[M+HCOO]-	338.035601	177.5
[M+CH3COO]-	352.051251	201.4
[M+Na-2H]-	314.012066	167.1
[M]+	293.03685142	165.9
[M]-	293.03794858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.