CID 215515

1-(4-fluorophenyl)-4-(piperidin-1-yl)pentan-1-one

Structural Information

Molecular Formula
C16H22FNO
SMILES
CC(CCC(=O)C1=CC=C(C=C1)F)N2CCCCC2
InChI
InChI=1S/C16H22FNO/c1-13(18-11-3-2-4-12-18)5-10-16(19)14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12H2,1H3
InChIKey
QAYKKLLGSAWVOJ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-piperidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.16855 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.175826 163.2
[M+Na]+ 286.157768 166.5
[M-H]- 262.161274 165.6
[M+NH4]+ 281.202373 177.8
[M+K]+ 302.131708 163.0
[M+H-H2O]+ 246.165810 153.8
[M+HCOO]- 308.166751 178.6
[M+CH3COO]- 322.182401 198.4
[M+Na-2H]- 284.143216 163.4
[M]+ 263.16800142 157.9
[M]- 263.16909858 157.9
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.