CID 7131388

39086-64-1

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂NO

SMILES

CN(CC1=CC(=CC=C1)Cl)C(=O)CCl

InChI

InChI=1S/C10H11Cl2NO/c1-13(10(14)6-11)7-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3

InChIKey

XEOQNIRKKCEMOT-UHFFFAOYSA-N

Compound name

2-chloro-N-[(3-chlorophenyl)methyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.02177 Da
Monoisotopic Mass: 2.5
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]+	232.029046	146.9
[M+Na]+	254.010988	155.4
[M-H]-	230.014494	151.3
[M+NH4]+	249.055593	166.7
[M+K]+	269.984928	151.3
[M+H-H2O]+	214.019030	142.4
[M+HCOO]-	276.019971	162.5
[M+CH3COO]-	290.035621	193.5
[M+Na-2H]-	251.996436	150.9
[M]+	231.02122142	151.3
[M]-	231.02231858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.