CID 2782992

22123-19-9

Structural Information

Molecular Formula
C7H6F3NO
SMILES
CC1=CC(=CC(=O)N1)C(F)(F)F
InChI
InChI=1S/C7H6F3NO/c1-4-2-5(7(8,9)10)3-6(12)11-4/h2-3H,1H3,(H,11,12)
InChIKey
CDRMKCNOGIBXOG-UHFFFAOYSA-N
Compound name
6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

177.04015 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04743 138.3
[M+Na]+ 200.02937 148.1
[M+NH4]+ 195.07397 143.5
[M+K]+ 216.00331 143.3
[M-H]- 176.03287 134.4
[M+Na-2H]- 198.01482 142.3
[M]+ 177.03960 138.2
[M]- 177.04070 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe