CID 11959533

1-[(4-fluorophenyl)methyl]piperidin-4-one hydrochloride

Structural Information

Molecular Formula
C12H14FNO
SMILES
C1CN(CCC1=O)CC2=CC=C(C=C2)F
InChI
InChI=1S/C12H14FNO/c13-11-3-1-10(2-4-11)9-14-7-5-12(15)6-8-14/h1-4H,5-9H2
InChIKey
SQMIXHCJWRQFCT-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

207.10594 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.113216 144.6
[M+Na]+ 230.095158 151.2
[M-H]- 206.098664 148.0
[M+NH4]+ 225.139763 161.9
[M+K]+ 246.069098 147.7
[M+H-H2O]+ 190.103200 136.0
[M+HCOO]- 252.104141 163.4
[M+CH3COO]- 266.119791 185.8
[M+Na-2H]- 228.080606 148.7
[M]+ 207.10539142 139.5
[M]- 207.10648858 139.5
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