CID 3007422

108664-51-3

Structural Information

Molecular Formula

C₁₃H₁₃Cl₂NO₂

SMILES

C=C(C1=C(C=C(C=C1)Cl)Cl)C(=O)N2CCOCC2

InChI

InChI=1S/C13H13Cl2NO2/c1-9(11-3-2-10(14)8-12(11)15)13(17)16-4-6-18-7-5-16/h2-3,8H,1,4-7H2

InChIKey

FYOPYTIYKOEKLG-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 285.03235 Da
Monoisotopic Mass: 2.8
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]+	286.039626	160.3
[M+Na]+	308.021568	167.4
[M-H]-	284.025074	164.9
[M+NH4]+	303.066173	174.4
[M+K]+	323.995508	163.0
[M+H-H2O]+	268.029610	153.8
[M+HCOO]-	330.030551	167.7
[M+CH3COO]-	344.046201	196.7
[M+Na-2H]-	306.007016	161.8
[M]+	285.03180142	160.2
[M]-	285.03289858	160.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.