CID 15080943

1-(trifluoroacetyl)piperidin-4-one

Structural Information

Molecular Formula
C7H8F3NO2
SMILES
C1CN(CCC1=O)C(=O)C(F)(F)F
InChI
InChI=1S/C7H8F3NO2/c8-7(9,10)6(13)11-3-1-5(12)2-4-11/h1-4H2
InChIKey
LUOSNGFOANFUES-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroacetyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

195.05072 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05800 136.4
[M+Na]+ 218.03994 143.5
[M-H]- 194.04344 134.4
[M+NH4]+ 213.08454 154.3
[M+K]+ 234.01388 142.1
[M+H-H2O]+ 178.04798 128.2
[M+HCOO]- 240.04892 151.1
[M+CH3COO]- 254.06457 180.5
[M+Na-2H]- 216.02539 139.8
[M]+ 195.05017 128.8
[M]- 195.05127 128.8
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

patents stripe