CID 2782595

79851-29-9

Structural Information

Molecular Formula
C8H5F11O3
SMILES
CCOC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H5F11O3/c1-2-21-3(20)4(9,6(12,13)14)22-8(18,19)5(10,11)7(15,16)17/h2H2,1H3
InChIKey
HJLWKGDZOZTKIS-UHFFFAOYSA-N
Compound name
ethyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

358.00632 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.01360 163.9
[M+Na]+ 380.99554 173.0
[M-H]- 356.99904 151.7
[M+NH4]+ 376.04014 155.0
[M+K]+ 396.96948 171.4
[M+H-H2O]+ 341.00358 151.8
[M+HCOO]- 403.00452 167.4
[M+CH3COO]- 417.02017 211.2
[M+Na-2H]- 378.98099 167.3
[M]+ 358.00577 150.4
[M]- 358.00687 150.4
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