CID 4125095

2-chloro-n-(3-chloro-4-methylphenyl)-2-phenylacetamide

Structural Information

Molecular Formula

C₁₅H₁₃Cl₂NO

SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)Cl)Cl

InChI

InChI=1S/C15H13Cl2NO/c1-10-7-8-12(9-13(10)16)18-15(19)14(17)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,18,19)

InChIKey

WHCFRBNKSHSYEP-UHFFFAOYSA-N

Compound name

2-chloro-N-(3-chloro-4-methylphenyl)-2-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.0374 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]+	294.044676	163.3
[M+Na]+	316.026618	171.6
[M-H]-	292.030124	169.4
[M+NH4]+	311.071223	179.8
[M+K]+	332.000558	165.1
[M+H-H2O]+	276.034660	157.5
[M+HCOO]-	338.035601	177.3
[M+CH3COO]-	352.051251	202.5
[M+Na-2H]-	314.012066	166.1
[M]+	293.03685142	166.0
[M]-	293.03794858	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.