CID 122232934

2,2-difluorocyclononanone

Structural Information

Molecular Formula

C₉H₁₄F₂O

SMILES

C1CCCC(=O)C(CCC1)(F)F

InChI

InChI=1S/C9H14F2O/c10-9(11)7-5-3-1-2-4-6-8(9)12/h1-7H2

InChIKey

FLEWKUFGPZOLAH-UHFFFAOYSA-N

Compound name

2,2-difluorocyclononan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.10127 Da
Monoisotopic Mass: 3.1
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]+	177.10855	183.8
[M+Na]+	199.09049	186.9
[M-H]-	175.09399	184.3
[M+NH4]+	194.13509	184.6
[M+K]+	215.06443	184.5
[M+H-H2O]+	159.09853	176.1
[M+HCOO]-	221.09947	185.5
[M+CH3COO]-	235.11512	186.3
[M+Na-2H]-	197.07594	187.7
[M]+	176.10072	184.9
[M]-	176.10182	184.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.