CID 139595818

2-{2-(2-(2-[2-(2-(perfluorohexyl)ethoxy)ethoxy]ethoxy)ethoxy)ethoxy}ethanol

Structural Information

Molecular Formula
C18H25F13O6
SMILES
C(COCCOCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H25F13O6/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)1-3-33-5-7-35-9-11-37-12-10-36-8-6-34-4-2-32/h32H,1-12H2
InChIKey
KTDPKMBOTZPWIX-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

584.14435 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.15163 189.2
[M+Na]+ 607.13357 191.3
[M-H]- 583.13707 190.5
[M+NH4]+ 602.17817 196.4
[M+K]+ 623.10751 198.2
[M+H-H2O]+ 567.14161 180.0
[M+HCOO]- 629.14255 205.8
[M+CH3COO]- 643.15820 248.4
[M+Na-2H]- 605.11902 181.8
[M]+ 584.14380 187.3
[M]- 584.14490 187.3
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

patents stripe