CID 68045

11-fluoro-2-undecanone

Structural Information

Molecular Formula

C₁₁H₂₁FO

SMILES

CC(=O)CCCCCCCCCF

InChI

InChI=1S/C11H21FO/c1-11(13)9-7-5-3-2-4-6-8-10-12/h2-10H2,1H3

InChIKey

YYAOHFVQNSJCGL-UHFFFAOYSA-N

Compound name

11-fluoroundecan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.15764 Da
Monoisotopic Mass: 3.7
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]+	189.16492	146.4
[M+Na]+	211.14686	151.6
[M-H]-	187.15036	144.4
[M+NH4]+	206.19146	166.2
[M+K]+	227.12080	150.0
[M+H-H2O]+	171.15490	140.2
[M+HCOO]-	233.15584	166.9
[M+CH3COO]-	247.17149	187.0
[M+Na-2H]-	209.13231	149.0
[M]+	188.15709	148.5
[M]-	188.15819	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.