CID 200375

Compound cn

Structural Information

Molecular Formula

C₁₄H₁₈FNO

SMILES

C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H18FNO/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16/h4-7H,1-3,8-11H2

InChIKey

MMOPHTBJNNBLFU-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 405
Patents: 235.13724 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe