CID 139596701

Hopas n=4 m=16

Structural Information

Molecular Formula
C40H65F17O16
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C40H65F17O16/c41-33(42,34(43,44)35(45,46)36(47,48)37(49,50)38(51,52)39(53,54)40(55,56)57)1-3-59-5-7-61-9-11-63-13-15-65-17-19-67-21-23-69-25-27-71-29-31-73-32-30-72-28-26-70-24-22-68-20-18-66-16-14-64-12-10-62-8-6-60-4-2-58/h58H,1-32H2
InChIKey
PWVLXPIXLNCHIN-UHFFFAOYSA-N
Compound name
2-[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]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1124.4001 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1125.4074 295.8
[M+Na]+ 1147.3893 289.2
[M-H]- 1123.3928 298.9
[M+NH4]+ 1142.4339 311.0
[M+K]+ 1163.3633 306.3
[M+H-H2O]+ 1107.3974 283.1
[M+HCOO]- 1169.3983 302.4
[M+CH3COO]- 1183.4140 316.8
[M+Na-2H]- 1145.3748 277.9
[M]+ 1124.3996 303.7
[M]- 1124.4006 303.7
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.