CID 6453736

3,6,9,12,15,18,21,24,27-nonaoxatriacontane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,29,30,30,30-pentatriacontafluoro-5,8,11,14,17,20,23,26-octakis(trifluoromethyl)-

Structural Information

Molecular Formula
C29HF59O9
SMILES
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)(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)F)F)(F)F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C29HF59O9/c30-1(2(31,32)33)89-22(73,74)4(36,13(47,48)49)91-24(77,78)6(38,15(53,54)55)93-26(81,82)8(40,17(59,60)61)95-28(85,86)10(42,19(65,66)67)97-29(87,88)11(43,20(68,69)70)96-27(83,84)9(41,18(62,63)64)94-25(79,80)7(39,16(56,57)58)92-23(75,76)5(37,14(50,51)52)90-21(71,72)3(34,35)12(44,45)46/h1H
InChIKey
NVGFEPAMFSXOAC-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3-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-[1,1,2,3,3,3-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]propoxy]propoxy]propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1613.8678 Da
Monoisotopic Mass

20.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1614.875076 342.2
[M+Na]+ 1636.857018 342.1
[M-H]- 1612.860524 352.4
[M+NH4]+ 1631.901623 347.6
[M+K]+ 1652.830958 348.9
[M+H-H2O]+ 1596.865060 337.0
[M+HCOO]- 1658.866001 345.7
[M+CH3COO]- 1672.881651 266.6
[M+Na-2H]- 1634.842466 342.7
[M]+ 1613.86725142 328.1
[M]- 1613.86834858 328.1
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.