CID 71672902

Dtxsid00896521

Structural Information

Molecular Formula
C14H17F11O3
SMILES
CCCCC(CC)COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C14H17F11O3/c1-3-5-6-8(4-2)7-27-9(26)10(15,12(18,19)20)28-14(24,25)11(16,17)13(21,22)23/h8H,3-7H2,1-2H3
InChIKey
FXZCUFFOPKNPDY-UHFFFAOYSA-N
Compound name
2-ethylhexyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

442.1002 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.10748 172.0
[M+Na]+ 465.08942 179.2
[M-H]- 441.09292 175.1
[M+NH4]+ 460.13402 181.4
[M+K]+ 481.06336 183.1
[M+H-H2O]+ 425.09746 177.1
[M+HCOO]- 487.09840 188.0
[M+CH3COO]- 501.11405 228.5
[M+Na-2H]- 463.07487 168.7
[M]+ 442.09965 171.2
[M]- 442.10075 171.2
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

No patent data available for this compound.