CID 139596785

Hopas n=4 m=14

Structural Information

Molecular Formula
C36H57F17O14
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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
InChI
InChI=1S/C36H57F17O14/c37-29(38,30(39,40)31(41,42)32(43,44)33(45,46)34(47,48)35(49,50)36(51,52)53)1-3-55-5-7-57-9-11-59-13-15-61-17-19-63-21-23-65-25-27-67-28-26-66-24-22-64-20-18-62-16-14-60-12-10-58-8-6-56-4-2-54/h54H,1-28H2
InChIKey
QLATUWPAROLWFJ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)ethoxy]ethoxy]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

1036.3477 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1037.3550 275.3
[M+Na]+ 1059.3369 270.1
[M-H]- 1035.3404 278.7
[M+NH4]+ 1054.3815 289.3
[M+K]+ 1075.3109 286.1
[M+H-H2O]+ 1019.3450 262.6
[M+HCOO]- 1081.3459 283.8
[M+CH3COO]- 1095.3616 307.3
[M+Na-2H]- 1057.3224 259.6
[M]+ 1036.3472 280.3
[M]- 1036.3482 280.3
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.