CID 132989300

4-fluoro-alpha-php

Structural Information

Molecular Formula

C₁₆H₂₂FNO

SMILES

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

InChI

InChI=1S/C16H22FNO/c1-2-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3

InChIKey

BCJXLSGKMNRRKO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 263.16855 Da
Monoisotopic Mass: 4.1
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]+	264.175826	164.0
[M+Na]+	286.157768	168.2
[M-H]-	262.161274	166.8
[M+NH4]+	281.202373	180.5
[M+K]+	302.131708	164.7
[M+H-H2O]+	246.165810	155.0
[M+HCOO]-	308.166751	181.6
[M+CH3COO]-	322.182401	197.9
[M+Na-2H]-	284.143216	162.5
[M]+	263.16800142	160.9
[M]-	263.16909858	160.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.