CID 19912272

65150-95-0

Structural Information

Molecular Formula
C15HF29O6
SMILES
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(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)(F)F)F)(F)F)F)O
InChI
InChI=1S/C15HF29O6/c16-2(1(45)46,7(22,23)24)47-13(39,40)4(19,9(28,29)30)49-15(43,44)6(21,11(34,35)36)50-14(41,42)5(20,10(31,32)33)48-12(37,38)3(17,18)8(25,26)27/h(H,45,46)
InChIKey
IJDRCJGYWUCJTR-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

827.931 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 828.93828 152.5
[M+Na]+ 850.92022 152.5
[M+NH4]+ 845.96482 152.5
[M+K]+ 866.89416 152.5
[M-H]- 826.92372 152.5
[M+Na-2H]- 848.90567 152.5
[M]+ 827.93045 152.5
[M]- 827.93155 152.5
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