CID 42940265

2-chloro-n-[2-(4-chlorophenoxy)ethyl]-n-methylpropanamide

Structural Information

Molecular Formula

C₁₂H₁₅Cl₂NO₂

SMILES

CC(C(=O)N(C)CCOC1=CC=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H15Cl2NO2/c1-9(13)12(16)15(2)7-8-17-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3

InChIKey

RUAKVJUANQEEFS-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.04797 Da
Monoisotopic Mass: 3.0
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]+	276.055246	158.3
[M+Na]+	298.037188	165.7
[M-H]-	274.040694	162.6
[M+NH4]+	293.081793	176.3
[M+K]+	314.011128	162.2
[M+H-H2O]+	258.045230	153.5
[M+HCOO]-	320.046171	172.7
[M+CH3COO]-	334.061821	202.2
[M+Na-2H]-	296.022636	160.2
[M]+	275.04742142	164.4
[M]-	275.04851858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.