CID 214218

Propiophenone, 2'-fluoro-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C14H18FNO
SMILES
C1CCN(CC1)CCC(=O)C2=CC=CC=C2F
InChI
InChI=1S/C14H18FNO/c15-13-7-3-2-6-12(13)14(17)8-11-16-9-4-1-5-10-16/h2-3,6-7H,1,4-5,8-11H2
InChIKey
DKLVPZCPZNWJCD-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13724 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14452 154.1
[M+Na]+ 258.12646 158.5
[M-H]- 234.12996 156.8
[M+NH4]+ 253.17106 169.9
[M+K]+ 274.10040 155.0
[M+H-H2O]+ 218.13450 144.9
[M+HCOO]- 280.13544 171.2
[M+CH3COO]- 294.15109 191.5
[M+Na-2H]- 256.11191 156.6
[M]+ 235.13669 148.7
[M]- 235.13779 148.7
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.