CID 214212

Propiophenone, 4'-fluoro-3-(4-phenylpiperidino)-, hydrochloride

Structural Information

Molecular Formula
C20H22FNO
SMILES
C1CN(CCC1C2=CC=CC=C2)CCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H22FNO/c21-19-8-6-18(7-9-19)20(23)12-15-22-13-10-17(11-14-22)16-4-2-1-3-5-16/h1-9,17H,10-15H2
InChIKey
PKOCYGJFSGZZBP-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.16855 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17583 175.1
[M+Na]+ 334.15777 179.1
[M-H]- 310.16127 180.6
[M+NH4]+ 329.20237 187.3
[M+K]+ 350.13171 173.4
[M+H-H2O]+ 294.16581 163.9
[M+HCOO]- 356.16675 191.3
[M+CH3COO]- 370.18240 206.5
[M+Na-2H]- 332.14322 176.0
[M]+ 311.16800 169.4
[M]- 311.16910 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.