CID 54719903

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

Structural Information

Molecular Formula

C₁₂H₁₀ClNO₂

SMILES

CC1=CC(=C(C(=O)N1)C2=CC=CC=C2Cl)O

InChI

InChI=1S/C12H10ClNO2/c1-7-6-10(15)11(12(16)14-7)8-4-2-3-5-9(8)13/h2-6H,1H3,(H2,14,15,16)

InChIKey

ZNTKEGIGJYESED-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.04001 Da
Monoisotopic Mass: 2.2
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]+	236.047286	147.0
[M+Na]+	258.029228	158.4
[M-H]-	234.032734	150.8
[M+NH4]+	253.073833	163.6
[M+K]+	274.003168	151.8
[M+H-H2O]+	218.037270	141.0
[M+HCOO]-	280.038211	163.8
[M+CH3COO]-	294.053861	185.4
[M+Na-2H]-	256.014676	151.9
[M]+	235.03946142	148.1
[M]-	235.04055858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.