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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.03963 160.3
[M+Na]+ 308.02157 167.4
[M-H]- 284.02507 164.9
[M+NH4]+ 303.06617 174.4
[M+K]+ 323.99551 163.0
[M+H-H2O]+ 268.02961 153.8
[M+HCOO]- 330.03055 167.7
[M+CH3COO]- 344.04620 196.7
[M+Na-2H]- 306.00702 161.8
[M]+ 285.03180 160.2
[M]- 285.03290 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.