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]+ 359.013596 163.9
[M+Na]+ 380.995538 173.0
[M-H]- 356.999044 151.7
[M+NH4]+ 376.040143 155.0
[M+K]+ 396.969478 171.4
[M+H-H2O]+ 341.003580 151.8
[M+HCOO]- 403.004521 167.4
[M+CH3COO]- 417.020171 211.2
[M+Na-2H]- 378.980986 167.3
[M]+ 358.00577142 150.4
[M]- 358.00686858 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