CID 11970768

84041-66-7

Structural Information

Molecular Formula
C8F16O3
SMILES
C1(C(OC(C(O1)(F)F)(C(F)(F)F)F)(OC(C(F)(F)F)(F)F)F)(C(F)(F)F)F
InChI
InChI=1S/C8F16O3/c9-1(3(11,12)13)6(20,21)25-2(10,4(14,15)16)8(24,26-1)27-7(22,23)5(17,18)19
InChIKey
FZTKCIWSVIVEKI-UHFFFAOYSA-N
Compound name
2,2,3,5,6-pentafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3,6-bis(trifluoromethyl)-1,4-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

447.9592 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.96648 175.9
[M+Na]+ 470.94842 189.6
[M-H]- 446.95192 164.5
[M+NH4]+ 465.99302 189.4
[M+K]+ 486.92236 189.3
[M+H-H2O]+ 430.95646 164.1
[M+HCOO]- 492.95740 173.1
[M+CH3COO]- 506.97305 224.3
[M+Na-2H]- 468.93387 182.1
[M]+ 447.95865 156.1
[M]- 447.95975 156.1
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