CID 139597862

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

Structural Information

Molecular Formula
C24H21F29O5
SMILES
C(COCCOCCOCCOCCO)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/C24H21F29O5/c25-11(26,1-3-55-5-7-57-9-10-58-8-6-56-4-2-54)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)21(45,46)22(47,48)23(49,50)24(51,52)53/h54H,1-10H2
InChIKey
XOHFNSDEJRVXJY-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

940.0926 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 941.09988 231.5
[M+Na]+ 963.08182 231.2
[M-H]- 939.08532 242.4
[M+NH4]+ 958.12642 243.8
[M+K]+ 979.05576 248.5
[M+H-H2O]+ 923.08986 216.9
[M+HCOO]- 985.09080 244.8
[M+CH3COO]- 999.10645 283.2
[M+Na-2H]- 961.06727 229.8
[M]+ 940.09205 230.3
[M]- 940.09315 230.3
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.