CID 6454117

61097-79-8

Structural Information

Molecular Formula
C8F14O3
SMILES
C(=C(F)F)(OC1(C(OC(C(O1)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)F)F
InChI
InChI=1S/C8F14O3/c9-1(10)2(11)23-8(22)4(13,6(17,18)19)24-7(20,21)3(12,25-8)5(14,15)16
InChIKey
ODICQQXTKDJYND-UHFFFAOYSA-N
Compound name
2,2,3,5,6-pentafluoro-5-(1,2,2-trifluoroethenoxy)-3,6-bis(trifluoromethyl)-1,4-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

409.9624 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.96968 166.0
[M+Na]+ 432.95162 179.0
[M-H]- 408.95512 155.8
[M+NH4]+ 427.99622 181.1
[M+K]+ 448.92556 178.6
[M+H-H2O]+ 392.95966 154.9
[M+HCOO]- 454.96060 166.2
[M+CH3COO]- 468.97625 218.4
[M+Na-2H]- 430.93707 169.0
[M]+ 409.96185 148.6
[M]- 409.96295 148.6
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