CID 102662

1,1,1,2,3,3-hexafluoro-2-(heptafluoropropoxy)-3-((trifluorovinyl)oxy)propane

Structural Information

Molecular Formula
C8F16O2
SMILES
C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C8F16O2/c9-1(10)2(11)25-8(23,24)4(14,6(18,19)20)26-7(21,22)3(12,13)5(15,16)17
InChIKey
RJBJXVAPYONTFE-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

526
Patents

431.9643 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.97158 177.1
[M+Na]+ 454.95352 161.3
[M-H]- 430.95702 159.6
[M+NH4]+ 449.99812 163.6
[M+K]+ 470.92746 183.7
[M+H-H2O]+ 414.96156 161.9
[M+HCOO]- 476.96250 171.1
[M+CH3COO]- 490.97815 224.8
[M+Na-2H]- 452.93897 177.2
[M]+ 431.96375 150.6
[M]- 431.96485 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe