CID 140764

20825-07-4

Structural Information

Molecular Formula

C₆H₂F₈O₂

SMILES

C(C(=O)C(C(F)(F)F)(F)F)C(=O)C(F)(F)F

InChI

InChI=1S/C6H2F8O2/c7-4(8,6(12,13)14)2(15)1-3(16)5(9,10)11/h1H2

InChIKey

MGKBKOFWQWACLM-UHFFFAOYSA-N

Compound name

1,1,1,5,5,6,6,6-octafluorohexane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 79
Patents: 257.9927 Da
Monoisotopic Mass: 2.7
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]+	258.99998	140.8
[M+Na]+	280.98192	149.9
[M-H]-	256.98542	131.6
[M+NH4]+	276.02652	157.1
[M+K]+	296.95586	148.3
[M+H-H2O]+	240.98996	130.8
[M+HCOO]-	302.99090	150.4
[M+CH3COO]-	317.00655	193.9
[M+Na-2H]-	278.96737	143.4
[M]+	257.99215	129.7
[M]-	257.99325	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe