CID 12647256

2,2,3,3,5,5,6,6-octafluoro-1,4-dioxane

Structural Information

Molecular Formula

C₄F₈O₂

SMILES

C1(C(OC(C(O1)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C4F8O2/c5-1(6)2(7,8)14-4(11,12)3(9,10)13-1

InChIKey

HMWAWZONWWOUGB-UHFFFAOYSA-N

Compound name

2,2,3,3,5,5,6,6-octafluoro-1,4-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 231.97705 Da
Monoisotopic Mass: 2.8
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]+	232.98433	126.0
[M+Na]+	254.96627	139.4
[M-H]-	230.96977	122.8
[M+NH4]+	250.01087	149.0
[M+K]+	270.94021	140.4
[M+H-H2O]+	214.97431	118.1
[M+HCOO]-	276.97525	137.9
[M+CH3COO]-	290.99090	187.7
[M+Na-2H]-	252.95172	134.5
[M]+	231.97650	117.1
[M]-	231.97760	117.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe