CID 214759

Brn 2847253

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO

SMILES

CC(C(=O)NCCC1=CC(=CC=C1)Cl)Cl

InChI

InChI=1S/C11H13Cl2NO/c1-8(12)11(15)14-6-5-9-3-2-4-10(13)7-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)

InChIKey

LCNFVEREKLRWSO-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-(3-chlorophenyl)ethyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.03741 Da
Monoisotopic Mass: 3.1
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	151.8
[M+Na]+	268.026628	159.5
[M-H]-	244.030134	154.6
[M+NH4]+	263.071233	170.3
[M+K]+	284.000568	154.3
[M+H-H2O]+	228.034670	147.5
[M+HCOO]-	290.035611	165.6
[M+CH3COO]-	304.051261	193.9
[M+Na-2H]-	266.012076	154.8
[M]+	245.03686142	154.7
[M]-	245.03795858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.