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 164.9
[M+Na]+ 308.12328 169.5
[M-H]- 284.12678 164.9
[M+NH4]+ 303.16788 178.6
[M+K]+ 324.09722 165.3
[M+H-H2O]+ 268.13132 154.1
[M+HCOO]- 330.13226 177.8
[M+CH3COO]- 344.14791 199.7
[M+Na-2H]- 306.10873 166.3
[M]+ 285.13351 157.0
[M]- 285.13461 157.0
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.