CID 54592467

2-chloro-n-[1-(4-chlorophenyl)ethyl]-n-methylacetamide

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO

SMILES

CC(C1=CC=C(C=C1)Cl)N(C)C(=O)CCl

InChI

InChI=1S/C11H13Cl2NO/c1-8(14(2)11(15)7-12)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3

InChIKey

SNTJAMYDIOVCFP-UHFFFAOYSA-N

Compound name

2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.03741 Da
Monoisotopic Mass: 2.9
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]+	246.044686	151.0
[M+Na]+	268.026628	158.9
[M-H]-	244.030134	155.4
[M+NH4]+	263.071233	170.2
[M+K]+	284.000568	155.0
[M+H-H2O]+	228.034670	146.5
[M+HCOO]-	290.035611	165.4
[M+CH3COO]-	304.051261	197.3
[M+Na-2H]-	266.012076	153.4
[M]+	245.03686142	155.3
[M]-	245.03795858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.