CID 141268

26131-32-8

Structural Information

Molecular Formula
C10H3F17O4
SMILES
COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C10H3F17O4/c1-29-2(28)3(11,6(15,16)17)30-10(26,27)5(14,8(21,22)23)31-9(24,25)4(12,13)7(18,19)20/h1H3
InChIKey
UMADKHFVSXRTGY-UHFFFAOYSA-N
Compound name
methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

509.97598 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.98326 163.0
[M+Na]+ 532.96520 163.0
[M+NH4]+ 528.00980 162.7
[M+K]+ 548.93914 163.3
[M-H]- 508.96870 161.5
[M+Na-2H]- 530.95065 163.2
[M]+ 509.97543 162.5
[M]- 509.97653 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe