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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.00832 151.9
[M+Na]+ 291.99026 164.4
[M-H]- 267.99376 155.2
[M+NH4]+ 287.03486 167.9
[M+K]+ 307.96420 156.8
[M+H-H2O]+ 251.99830 146.7
[M+HCOO]- 313.99924 163.5
[M+CH3COO]- 328.01489 191.2
[M+Na-2H]- 289.97571 155.4
[M]+ 269.00049 154.6
[M]- 269.00159 154.6
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.