CID 98790

39590-62-0

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂NO

SMILES

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

InChI

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

InChIKey

DYCMPCDPPHAREU-UHFFFAOYSA-N

Compound name

3-chloro-N-(2-chloro-6-methylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 231.02177 Da
Monoisotopic Mass: 1.7
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	147.0
[M+Na]+	254.010988	156.3
[M-H]-	230.014494	150.2
[M+NH4]+	249.055593	166.5
[M+K]+	269.984928	150.9
[M+H-H2O]+	214.019030	143.0
[M+HCOO]-	276.019971	162.1
[M+CH3COO]-	290.035621	191.2
[M+Na-2H]-	251.996436	151.0
[M]+	231.02122142	150.4
[M]-	231.02231858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe