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]+ 1614.8751 342.2
[M+Na]+ 1636.8570 342.1
[M-H]- 1612.8605 352.4
[M+NH4]+ 1631.9016 347.6
[M+K]+ 1652.8310 348.9
[M+H-H2O]+ 1596.8651 337.0
[M+HCOO]- 1658.8660 345.7
[M+CH3COO]- 1672.8817 266.6
[M+Na-2H]- 1634.8425 342.7
[M]+ 1613.8673 328.1
[M]- 1613.8683 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.