CID 101245853

15,15,16,16,17,17,18,18,19,19,20,20,20-tridecafluoro-3,6,9,12-tetraoxaicosane-1-ol

Structural Information

Molecular Formula
C16H21F13O5
SMILES
C(COCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H21F13O5/c17-11(18,1-3-31-5-7-33-9-10-34-8-6-32-4-2-30)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h30H,1-10H2
InChIKey
UYENJBXPKVMORF-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

540.11816 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.12544 180.2
[M+Na]+ 563.10738 183.1
[M-H]- 539.11088 181.6
[M+NH4]+ 558.15198 186.8
[M+K]+ 579.08132 189.3
[M+H-H2O]+ 523.11542 171.2
[M+HCOO]- 585.11636 197.6
[M+CH3COO]- 599.13201 241.5
[M+Na-2H]- 561.09283 174.0
[M]+ 540.11761 178.2
[M]- 540.11871 178.2
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

patents stripe