CID 2769352

Methyl perfluoro-3,6,9-trioxatridecanoate

Structural Information

Molecular Formula
C11H3F19O5
SMILES
COC(=O)C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H3F19O5/c1-32-2(31)3(12,13)33-8(23,24)9(25,26)35-11(29,30)10(27,28)34-7(21,22)5(16,17)4(14,15)6(18,19)20/h1H3
InChIKey
FMEDKXCQTKWGKE-UHFFFAOYSA-N
Compound name
methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

575.9677 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.97498 153.7
[M+Na]+ 598.95692 153.7
[M+NH4]+ 594.00152 153.8
[M+K]+ 614.93086 153.8
[M-H]- 574.96042 153.6
[M+Na-2H]- 596.94237 160.7
[M]+ 575.96715 153.7
[M]- 575.96825 153.7
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