CID 77520161

4-(trifluoromethyl)piperidin-2-one

Structural Information

Molecular Formula
C6H8F3NO
SMILES
C1CNC(=O)CC1C(F)(F)F
InChI
InChI=1S/C6H8F3NO/c7-6(8,9)4-1-2-10-5(11)3-4/h4H,1-3H2,(H,10,11)
InChIKey
RFFLIOIYAGSNSJ-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

167.0558 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06308 131.1
[M+Na]+ 190.04502 138.1
[M-H]- 166.04852 127.7
[M+NH4]+ 185.08962 149.5
[M+K]+ 206.01896 135.7
[M+H-H2O]+ 150.05306 123.3
[M+HCOO]- 212.05400 145.1
[M+CH3COO]- 226.06965 173.5
[M+Na-2H]- 188.03047 135.6
[M]+ 167.05525 121.2
[M]- 167.05635 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