CID 54719901

4-hydroxy-6-methyl-3-(3-trifluoromethylphenyl)-2(1h)-pyridinone

Structural Information

Molecular Formula
C13H10F3NO2
SMILES
CC1=CC(=C(C(=O)N1)C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C13H10F3NO2/c1-7-5-10(18)11(12(19)17-7)8-3-2-4-9(6-8)13(14,15)16/h2-6H,1H3,(H2,17,18,19)
InChIKey
YJCBHNCZHJELJY-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06638 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07366 155.4
[M+Na]+ 292.05560 166.2
[M-H]- 268.05910 155.4
[M+NH4]+ 287.10020 169.7
[M+K]+ 308.02954 160.2
[M+H-H2O]+ 252.06364 146.1
[M+HCOO]- 314.06458 171.5
[M+CH3COO]- 328.08023 192.6
[M+Na-2H]- 290.04105 159.1
[M]+ 269.06583 150.7
[M]- 269.06693 150.7
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.