CID 101586402

Einecs 297-932-5

Structural Information

Molecular Formula
C34H45F25O11
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(CC(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)O
InChI
InChI=1S/C34H45F25O11/c1-61-2-3-62-4-5-63-6-7-64-8-9-65-10-11-66-12-13-67-14-15-68-16-17-69-18-19-70-21-22(60)20-23(35,36)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/h22,60H,2-21H2,1H3
InChIKey
FEEORIGTDOMEJN-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1104.2562 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1105.2635 270.9
[M+Na]+ 1127.2454 267.6
[M-H]- 1103.2489 280.8
[M+NH4]+ 1122.2900 286.4
[M+K]+ 1143.2194 286.9
[M+H-H2O]+ 1087.2535 256.2
[M+HCOO]- 1149.2544 278.9
[M+CH3COO]- 1163.2701 303.9
[M+Na-2H]- 1125.2309 262.0
[M]+ 1104.2557 274.6
[M]- 1104.2567 274.6
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.