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 151.3
[M+Na]+ 276.06066 162.1
[M-H]- 252.06416 153.6
[M+NH4]+ 271.10526 167.4
[M+K]+ 292.03460 157.2
[M+H-H2O]+ 236.06870 141.3
[M+HCOO]- 298.06964 170.2
[M+CH3COO]- 312.08529 194.2
[M+Na-2H]- 274.04611 156.6
[M]+ 253.07089 148.4
[M]- 253.07199 148.4
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