CID 11322641

4-fluoro-alpha-pvp

Structural Information

Molecular Formula

C₁₅H₂₀FNO

SMILES

CCCC(C(=O)C1=CC=C(C=C1)F)N2CCCC2

InChI

InChI=1S/C15H20FNO/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3

InChIKey

BQLSUBYYRRZHRK-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-2-pyrrolidin-1-ylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 249.1529 Da
Monoisotopic Mass: 3.5
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]+	250.160176	159.3
[M+Na]+	272.142118	164.0
[M-H]-	248.145624	162.4
[M+NH4]+	267.186723	176.4
[M+K]+	288.116058	160.8
[M+H-H2O]+	232.150160	150.6
[M+HCOO]-	294.151101	177.3
[M+CH3COO]-	308.166751	194.9
[M+Na-2H]-	270.127566	158.5
[M]+	249.15235142	155.9
[M]-	249.15344858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe