CID 83823641

4-[(4-chlorophenyl)methyl]-4-fluoropiperidine hydrochloride

Structural Information

Molecular Formula
C12H15ClFN
SMILES
C1CNCCC1(CC2=CC=C(C=C2)Cl)F
InChI
InChI=1S/C12H15ClFN/c13-11-3-1-10(2-4-11)9-12(14)5-7-15-8-6-12/h1-4,15H,5-9H2
InChIKey
GHYRYXVEZLRPHC-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl]-4-fluoropiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

227.0877 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09498 148.8
[M+Na]+ 250.07692 155.5
[M-H]- 226.08042 150.5
[M+NH4]+ 245.12152 167.3
[M+K]+ 266.05086 149.6
[M+H-H2O]+ 210.08496 141.4
[M+HCOO]- 272.08590 161.1
[M+CH3COO]- 286.10155 159.6
[M+Na-2H]- 248.06237 153.6
[M]+ 227.08715 143.1
[M]- 227.08825 143.1
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