CID 15269883

Hexyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate

Structural Information

Molecular Formula
C12H13F11O3
SMILES
CCCCCCOC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C12H13F11O3/c1-2-3-4-5-6-25-7(24)8(13,10(16,17)18)26-12(22,23)9(14,15)11(19,20)21/h2-6H2,1H3
InChIKey
FEZXWXKYEADKJL-UHFFFAOYSA-N
Compound name
hexyl 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

414.0689 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.07618 182.7
[M+Na]+ 437.05812 190.1
[M-H]- 413.06162 164.9
[M+NH4]+ 432.10272 170.6
[M+K]+ 453.03206 187.7
[M+H-H2O]+ 397.06616 169.8
[M+HCOO]- 459.06710 181.7
[M+CH3COO]- 473.08275 222.3
[M+Na-2H]- 435.04357 184.1
[M]+ 414.06835 162.1
[M]- 414.06945 162.1
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.