CID 10154195

34486-06-1

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

0
References

387
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 125.4
[M+Na]+ 186.01372 135.6
[M-H]- 162.01722 123.1
[M+NH4]+ 181.05832 144.3
[M+K]+ 201.98766 132.3
[M+H-H2O]+ 146.02176 117.6
[M+HCOO]- 208.02270 143.8
[M+CH3COO]- 222.03835 172.5
[M+Na-2H]- 183.99917 132.9
[M]+ 163.02395 119.8
[M]- 163.02505 119.8
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.