CID 44150104

3,6,9,12,15,18,21,24-octaoxaheptacosanoyl fluoride, 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,26,27,27,27-nonacosafluoro-2,5,8,11,14,17,20,23-octakis(trifluoromethyl)-

Structural Information

Molecular Formula
C27F54O9
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)(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
InChI
InChI=1S/C27F54O9/c28-1(82)2(29,11(39,40)41)83-21(68,69)4(32,13(45,46)47)85-23(72,73)6(34,15(51,52)53)87-25(76,77)8(36,17(57,58)59)89-27(80,81)10(38,19(63,64)65)90-26(78,79)9(37,18(60,61)62)88-24(74,75)7(35,16(54,55)56)86-22(70,71)5(33,14(48,49)50)84-20(66,67)3(30,31)12(42,43)44
InChIKey
CCQXLJSVUNLMMK-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-[1,1,2,3,3,3-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]propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1493.868 Da
Monoisotopic Mass

18.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1494.875276 323.5
[M+Na]+ 1516.857218 323.4
[M-H]- 1492.860724 335.1
[M+NH4]+ 1511.901823 330.7
[M+K]+ 1532.831158 332.2
[M+H-H2O]+ 1476.865260 316.9
[M+HCOO]- 1538.866201 328.4
[M+CH3COO]- 1552.881851 270.0
[M+Na-2H]- 1514.842666 324.9
[M]+ 1493.86745142 311.3
[M]- 1493.86854858 311.3
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.