CID 3007390

108664-27-3

Structural Information

Molecular Formula
C15H12ClNO2
SMILES
CC1=CN(C(=O)C=C1)C(=C)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H12ClNO2/c1-10-3-8-14(18)17(9-10)11(2)15(19)12-4-6-13(16)7-5-12/h3-9H,2H2,1H3
InChIKey
JVALCGLBCXZWRW-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.05566 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06294 156.6
[M+Na]+ 296.04488 166.6
[M-H]- 272.04838 162.5
[M+NH4]+ 291.08948 172.4
[M+K]+ 312.01882 160.9
[M+H-H2O]+ 256.05292 149.5
[M+HCOO]- 318.05386 173.8
[M+CH3COO]- 332.06951 198.2
[M+Na-2H]- 294.03033 159.4
[M]+ 273.05511 159.5
[M]- 273.05621 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.