CID 54719904

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

Structural Information

Molecular Formula
C12H10ClNO2
SMILES
CC1=CC(=C(C(=O)N1)C2=CC(=CC=C2)Cl)O
InChI
InChI=1S/C12H10ClNO2/c1-7-5-10(15)11(12(16)14-7)8-3-2-4-9(13)6-8/h2-6H,1H3,(H2,14,15,16)
InChIKey
ROVPYTRKSURMKT-UHFFFAOYSA-N
Compound name
3-(3-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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.