CID 606284

1-(4-fluorophenyl)-4-piperidinone

Structural Information

Molecular Formula

C₁₁H₁₂FNO

SMILES

C1CN(CCC1=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H12FNO/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4H,5-8H2

InChIKey

OLYMDXQWTWIJHJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 193.09029 Da
Monoisotopic Mass: 1.6
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]+	194.09757	140.0
[M+Na]+	216.07951	147.0
[M-H]-	192.08301	143.6
[M+NH4]+	211.12411	157.9
[M+K]+	232.05345	143.8
[M+H-H2O]+	176.08755	131.6
[M+HCOO]-	238.08849	159.1
[M+CH3COO]-	252.10414	182.7
[M+Na-2H]-	214.06496	144.6
[M]+	193.08974	134.6
[M]-	193.09084	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe