CID 3007396

104941-04-0

Structural Information

Molecular Formula
C18H12ClNO2
SMILES
C=C(C(=O)C1=CC=C(C=C1)Cl)N2C(=O)C=CC3=CC=CC=C32
InChI
InChI=1S/C18H12ClNO2/c1-12(18(22)14-6-9-15(19)10-7-14)20-16-5-3-2-4-13(16)8-11-17(20)21/h2-11H,1H2
InChIKey
SZIBGMJBUXMXQS-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.05566 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06294 167.2
[M+Na]+ 332.04488 177.1
[M-H]- 308.04838 173.6
[M+NH4]+ 327.08948 182.2
[M+K]+ 348.01882 170.1
[M+H-H2O]+ 292.05292 159.1
[M+HCOO]- 354.05386 182.9
[M+CH3COO]- 368.06951 178.9
[M+Na-2H]- 330.03033 171.3
[M]+ 309.05511 169.8
[M]- 309.05621 169.8
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.