CID 3678411

22245-83-6

Structural Information

Molecular Formula
C6H4F3NO
SMILES
C1=CNC(=O)C(=C1)C(F)(F)F
InChI
InChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-10-5(4)11/h1-3H,(H,10,11)
InChIKey
JHDCDEHVUADNKQ-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

847
Patents

163.0245 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03178 133.5
[M+Na]+ 186.01372 143.1
[M+NH4]+ 181.05832 138.9
[M+K]+ 201.98766 138.4
[M-H]- 162.01722 129.5
[M+Na-2H]- 183.99917 138.0
[M]+ 163.02395 133.4
[M]- 163.02505 133.4
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