CID 11623

12-fluoro-2-dodecanone

Structural Information

Molecular Formula

C₁₂H₂₃FO

SMILES

CC(=O)CCCCCCCCCCF

InChI

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

InChIKey

FGHBRNRFQMGLKK-UHFFFAOYSA-N

Compound name

12-fluorododecan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.1733 Da
Monoisotopic Mass: 4.3
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	151.0
[M+Na]+	225.16252	155.8
[M-H]-	201.16602	148.9
[M+NH4]+	220.20712	170.3
[M+K]+	241.13646	154.0
[M+H-H2O]+	185.17056	144.6
[M+HCOO]-	247.17150	171.2
[M+CH3COO]-	261.18715	190.0
[M+Na-2H]-	223.14797	153.1
[M]+	202.17275	153.5
[M]-	202.17385	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.