CID 214234

Propiophenone, 3-piperidino-4'-(trifluoromethyl)-, hydrochloride

Structural Information

Molecular Formula
C15H18F3NO
SMILES
C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C15H18F3NO/c16-15(17,18)13-6-4-12(5-7-13)14(20)8-11-19-9-2-1-3-10-19/h4-7H,1-3,8-11H2
InChIKey
XOKXFHNBFNEBON-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.13406 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14134 169.8
[M+Na]+ 308.12328 178.0
[M+NH4]+ 303.16788 174.9
[M+K]+ 324.09722 171.9
[M-H]- 284.12678 167.9
[M+Na-2H]- 306.10873 173.6
[M]+ 285.13351 170.0
[M]- 285.13461 170.0
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

No patent data available for this compound.