CID 54719906

3-(2,4-dichlorophenyl)-4-hydroxy-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula

C₁₂H₉Cl₂NO₂

SMILES

CC1=CC(=C(C(=O)N1)C2=C(C=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C12H9Cl2NO2/c1-6-4-10(16)11(12(17)15-6)8-3-2-7(13)5-9(8)14/h2-5H,1H3,(H2,15,16,17)

InChIKey

FYXCKVFDWJGPOQ-UHFFFAOYSA-N

Compound name

3-(2,4-dichlorophenyl)-4-hydroxy-6-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.00104 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]+	270.008316	151.9
[M+Na]+	291.990258	164.4
[M-H]-	267.993764	155.2
[M+NH4]+	287.034863	167.9
[M+K]+	307.964198	156.8
[M+H-H2O]+	251.998300	146.7
[M+HCOO]-	313.999241	163.5
[M+CH3COO]-	328.014891	191.2
[M+Na-2H]-	289.975706	155.4
[M]+	269.00049142	154.6
[M]-	269.00158858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.