CID 123299

13252-15-8

Structural Information

Molecular Formula
C18F36O6
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)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)F
InChI
InChI=1S/C18F36O6/c19-1(55)2(20,8(27,28)29)56-15(47,48)4(23,10(33,34)35)58-17(51,52)6(25,12(39,40)41)60-18(53,54)7(26,13(42,43)44)59-16(49,50)5(24,11(36,37)38)57-14(45,46)3(21,22)9(30,31)32
InChIKey
VOAMXAGBQIGIEI-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-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

995.912 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 996.91928 152.5
[M+Na]+ 1018.9012 152.5
[M+NH4]+ 1013.9458 152.5
[M+K]+ 1034.8752 152.5
[M-H]- 994.90472 152.5
[M+Na-2H]- 1016.8867 152.5
[M]+ 995.91145 152.5
[M]- 995.91255 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