CID 3007428

108664-56-8

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂

SMILES

CC(C(=O)C1=CC=C(C=C1)Cl)N2C=CC=CC2=O

InChI

InChI=1S/C14H12ClNO2/c1-10(16-9-3-2-4-13(16)17)14(18)11-5-7-12(15)8-6-11/h2-10H,1H3

InChIKey

YRMFNXUODYOOAU-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 261.05566 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]+	262.06294	153.8
[M+Na]+	284.04488	163.0
[M-H]-	260.04838	159.4
[M+NH4]+	279.08948	169.9
[M+K]+	300.01882	158.0
[M+H-H2O]+	244.05292	146.5
[M+HCOO]-	306.05386	171.1
[M+CH3COO]-	320.06951	194.9
[M+Na-2H]-	282.03033	157.8
[M]+	261.05511	156.6
[M]-	261.05621	156.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.