CID 139594300

Hopas n=6 m=12

Structural Information

Molecular Formula
C36H49F25O12
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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
InChI
InChI=1S/C36H49F25O12/c37-25(38,26(39,40)27(41,42)28(43,44)29(45,46)30(47,48)31(49,50)32(51,52)33(53,54)34(55,56)35(57,58)36(59,60)61)1-3-63-5-7-65-9-11-67-13-15-69-17-19-71-21-23-73-24-22-72-20-18-70-16-14-68-12-10-66-8-6-64-4-2-62/h62H,1-24H2
InChIKey
BDBOAAMFDWNWQJ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1148.2825 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1149.2898 275.2
[M+Na]+ 1171.2717 270.9
[M-H]- 1147.2752 283.8
[M+NH4]+ 1166.3163 290.2
[M+K]+ 1187.2457 290.4
[M+H-H2O]+ 1131.2798 260.1
[M+HCOO]- 1193.2807 284.1
[M+CH3COO]- 1207.2964 307.6
[M+Na-2H]- 1169.2572 265.3
[M]+ 1148.2820 279.8
[M]- 1148.2830 279.8
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.