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

97
Patents

231.97705 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.984326 126.0
[M+Na]+ 254.966268 139.4
[M-H]- 230.969774 122.8
[M+NH4]+ 250.010873 149.0
[M+K]+ 270.940208 140.4
[M+H-H2O]+ 214.974310 118.1
[M+HCOO]- 276.975251 137.9
[M+CH3COO]- 290.990901 187.7
[M+Na-2H]- 252.951716 134.5
[M]+ 231.97650142 117.1
[M]- 231.97759858 117.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe