CID 21800507

1-[(3-fluorophenyl)methyl]piperidin-4-one hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

207.10594 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11322 144.6
[M+Na]+ 230.09516 151.2
[M-H]- 206.09866 148.0
[M+NH4]+ 225.13976 161.9
[M+K]+ 246.06910 147.7
[M+H-H2O]+ 190.10320 136.0
[M+HCOO]- 252.10414 163.4
[M+CH3COO]- 266.11979 185.8
[M+Na-2H]- 228.08061 148.7
[M]+ 207.10539 139.5
[M]- 207.10649 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