CID 139596072

17-(perfluorotetradecyl)-3,6,9,12,15-pentaoxaheptadecanol

Structural Information

Molecular Formula
C26H25F29O6
SMILES
C(COCCOCCOCCOCCOCCO)C(C(C(C(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)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C26H25F29O6/c27-13(28,1-3-57-5-7-59-9-11-61-12-10-60-8-6-58-4-2-56)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)19(39,40)20(41,42)21(43,44)22(45,46)23(47,48)24(49,50)25(51,52)26(53,54)55/h56H,1-12H2
InChIKey
MKTILPAUTHOCHR-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

984.11884 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 985.12612 152.5
[M+Na]+ 1007.1081 152.5
[M+NH4]+ 1002.1527 152.5
[M+K]+ 1023.0820 152.5
[M-H]- 983.11156 152.5
[M+Na-2H]- 1005.0935 152.5
[M]+ 984.11829 152.5
[M]- 984.11939 152.5
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.