CID 3007384

104940-96-7

Structural Information

Molecular Formula

C₁₄H₁₀ClNO₂

SMILES

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

InChI

InChI=1S/C14H10ClNO2/c1-10(16-9-3-2-4-13(16)17)14(18)11-5-7-12(15)8-6-11/h2-9H,1H2

InChIKey

CSEDGWVKRDWZEH-UHFFFAOYSA-N

Compound name

1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 259.04 Da
Monoisotopic Mass: 3.1
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]+	260.04728	152.6
[M+Na]+	282.02922	162.2
[M-H]-	258.03272	158.3
[M+NH4]+	277.07382	168.7
[M+K]+	298.00316	156.6
[M+H-H2O]+	242.03726	145.5
[M+HCOO]-	304.03820	170.2
[M+CH3COO]-	318.05385	194.0
[M+Na-2H]-	280.01467	156.6
[M]+	259.03945	154.8
[M]-	259.04055	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe