CID 898470

4-(3,4-dichlorocinnamoyl)morpholine

Structural Information

Molecular Formula

C₁₃H₁₃Cl₂NO₂

SMILES

C1COCCN1C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H13Cl2NO2/c14-11-3-1-10(9-12(11)15)2-4-13(17)16-5-7-18-8-6-16/h1-4,9H,5-8H2/b4-2+

InChIKey

KEBHAGCGNZKVDO-DUXPYHPUSA-N

Compound name

(E)-3-(3,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 285.03235 Da
Monoisotopic Mass: 2.7
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]+	286.039626	161.5
[M+Na]+	308.021568	168.8
[M-H]-	284.025074	165.9
[M+NH4]+	303.066173	175.7
[M+K]+	323.995508	164.0
[M+H-H2O]+	268.029610	154.7
[M+HCOO]-	330.030551	169.7
[M+CH3COO]-	344.046201	195.2
[M+Na-2H]-	306.007016	163.9
[M]+	285.03180142	161.7
[M]-	285.03289858	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe