CID 139597759

Hopas n=4 m=15

Structural Information

Molecular Formula
C38H61F17O15
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C38H61F17O15/c39-31(40,32(41,42)33(43,44)34(45,46)35(47,48)36(49,50)37(51,52)38(53,54)55)1-3-57-5-7-59-9-11-61-13-15-63-17-19-65-21-23-67-25-27-69-29-30-70-28-26-68-24-22-66-20-18-64-16-14-62-12-10-60-8-6-58-4-2-56/h56H,1-30H2
InChIKey
WWTRFJGFUSAQAQ-UHFFFAOYSA-N
Compound name
2-[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]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1080.3739 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1081.3812 285.5
[M+Na]+ 1103.3631 279.5
[M-H]- 1079.3666 288.7
[M+NH4]+ 1098.4077 300.0
[M+K]+ 1119.3371 296.1
[M+H-H2O]+ 1063.3712 272.7
[M+HCOO]- 1125.3721 293.0
[M+CH3COO]- 1139.3878 312.2
[M+Na-2H]- 1101.3486 268.7
[M]+ 1080.3734 291.9
[M]- 1080.3744 291.9
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.