CID 57367082

6-(trifluoromethyl)piperidin-2-one

Structural Information

Molecular Formula
C6H8F3NO
SMILES
C1CC(NC(=O)C1)C(F)(F)F
InChI
InChI=1S/C6H8F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h4H,1-3H2,(H,10,11)
InChIKey
DIJXEGUOBRBICZ-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

167.0558 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06308 138.7
[M+Na]+ 190.04502 145.9
[M+NH4]+ 185.08962 144.0
[M+K]+ 206.01896 141.6
[M-H]- 166.04852 134.3
[M+Na-2H]- 188.03047 140.7
[M]+ 167.05525 138.0
[M]- 167.05635 138.0
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