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]+ 1494.8753 323.5
[M+Na]+ 1516.8572 323.4
[M-H]- 1492.8607 335.1
[M+NH4]+ 1511.9018 330.7
[M+K]+ 1532.8312 332.2
[M+H-H2O]+ 1476.8653 316.9
[M+HCOO]- 1538.8662 328.4
[M+CH3COO]- 1552.8819 270.0
[M+Na-2H]- 1514.8427 324.9
[M]+ 1493.8675 311.3
[M]- 1493.8685 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.