CID 19684

6-dodecanone, 12-fluoro-

Structural Information

Molecular Formula

C₁₂H₂₃FO

SMILES

CCCCCC(=O)CCCCCCF

InChI

InChI=1S/C12H23FO/c1-2-3-6-9-12(14)10-7-4-5-8-11-13/h2-11H2,1H3

InChIKey

VIIIFBSDFZIZBK-UHFFFAOYSA-N

Compound name

12-fluorododecan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.1733 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]+	203.18058	151.4
[M+Na]+	225.16252	160.1
[M+NH4]+	220.20712	158.0
[M+K]+	241.13646	152.9
[M-H]-	201.16602	149.3
[M+Na-2H]-	223.14797	153.3
[M]+	202.17275	151.7
[M]-	202.17385	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.