CID 68990775

6-methyl-1-(3-(trifluoromethyl)phenyl)pyridin-2-one

Structural Information

Molecular Formula
C13H10F3NO
SMILES
CC1=CC=CC(=O)N1C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C13H10F3NO/c1-9-4-2-7-12(18)17(9)11-6-3-5-10(8-11)13(14,15)16/h2-8H,1H3
InChIKey
IOOPQJDKEPQQAB-UHFFFAOYSA-N
Compound name
6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.07144 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07872 158.3
[M+Na]+ 276.06066 170.4
[M+NH4]+ 271.10526 164.1
[M+K]+ 292.03460 163.8
[M-H]- 252.06416 157.3
[M+Na-2H]- 274.04611 165.0
[M]+ 253.07089 159.7
[M]- 253.07199 159.7
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

patents stripe