CID 54719905

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

Structural Information

Molecular Formula
C12H10ClNO2
SMILES
CC1=CC(=C(C(=O)N1)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C12H10ClNO2/c1-7-6-10(15)11(12(16)14-7)8-2-4-9(13)5-3-8/h2-6H,1H3,(H2,14,15,16)
InChIKey
KOEJAQUCMSZFGY-UHFFFAOYSA-N
Compound name
3-(4-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]+ 236.04729 147.0
[M+Na]+ 258.02923 158.4
[M-H]- 234.03273 150.8
[M+NH4]+ 253.07383 163.6
[M+K]+ 274.00317 151.8
[M+H-H2O]+ 218.03727 141.0
[M+HCOO]- 280.03821 163.8
[M+CH3COO]- 294.05386 185.4
[M+Na-2H]- 256.01468 151.9
[M]+ 235.03946 148.1
[M]- 235.04056 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.