CID 139596295

14-(perfluorodecyl)-3,6,9,12-tetraoxatetradecanol

Structural Information

Molecular Formula
C20H21F21O5
SMILES
C(COCCOCCOCCOCCO)C(C(C(C(C(C(C(C(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/C20H21F21O5/c21-11(22,1-3-43-5-7-45-9-10-46-8-6-44-4-2-42)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)19(37,38)20(39,40)41/h42H,1-10H2
InChIKey
NRRNRSNNVISAKP-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

740.10535 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 741.11263 204.5
[M+Na]+ 763.09457 205.5
[M-H]- 739.09807 211.9
[M+NH4]+ 758.13917 215.2
[M+K]+ 779.06851 219.2
[M+H-H2O]+ 723.10261 191.1
[M+HCOO]- 785.10355 220.3
[M+CH3COO]- 799.11920 268.5
[M+Na-2H]- 761.08002 200.2
[M]+ 740.10480 203.1
[M]- 740.10590 203.1
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.