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

17
Patents

167.0558 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.063076 131.1
[M+Na]+ 190.045018 138.1
[M-H]- 166.048524 127.7
[M+NH4]+ 185.089623 149.5
[M+K]+ 206.018958 135.7
[M+H-H2O]+ 150.053060 123.3
[M+HCOO]- 212.054001 145.1
[M+CH3COO]- 226.069651 173.5
[M+Na-2H]- 188.030466 135.6
[M]+ 167.05525142 121.2
[M]- 167.05634858 121.2
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