CID 139598023

Hopas n=6 m=11

Structural Information

Molecular Formula
C34H45F25O11
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C34H45F25O11/c35-23(36,1-3-61-5-7-63-9-11-65-13-15-67-17-19-69-21-22-70-20-18-68-16-14-66-12-10-64-8-6-62-4-2-60)24(37,38)25(39,40)26(41,42)27(43,44)28(45,46)29(47,48)30(49,50)31(51,52)32(53,54)33(55,56)34(57,58)59/h60H,1-22H2
InChIKey
YKEIGVKWOMTKSG-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1104.2562 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1105.2635 266.5
[M+Na]+ 1127.2454 262.9
[M-H]- 1103.2489 275.3
[M+NH4]+ 1122.2900 281.0
[M+K]+ 1143.2194 281.9
[M+H-H2O]+ 1087.2535 251.5
[M+HCOO]- 1149.2544 276.3
[M+CH3COO]- 1163.2701 303.7
[M+Na-2H]- 1125.2309 257.5
[M]+ 1104.2557 270.0
[M]- 1104.2567 270.0
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.