CID 139595598

Hopas n=4 m=20

Structural Information

Molecular Formula
C48H81F17O20
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C48H81F17O20/c49-41(50,42(51,52)43(53,54)44(55,56)45(57,58)46(59,60)47(61,62)48(63,64)65)1-3-67-5-7-69-9-11-71-13-15-73-17-19-75-21-23-77-25-27-79-29-31-81-33-35-83-37-39-85-40-38-84-36-34-82-32-30-80-28-26-78-24-22-76-20-18-74-16-14-72-12-10-70-8-6-68-4-2-66/h66H,1-40H2
InChIKey
JMJAPLLTRZCMBM-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1300.505 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1301.5123 339.0
[M+Na]+ 1323.4942 329.5
[M-H]- 1299.4977 341.3
[M+NH4]+ 1318.5388 356.2
[M+K]+ 1339.4682 348.5
[M+H-H2O]+ 1283.5023 326.0
[M+HCOO]- 1345.5032 341.3
[M+CH3COO]- 1359.5189 333.1
[M+Na-2H]- 1321.4797 316.7
[M]+ 1300.5045 353.8
[M]- 1300.5055 353.8
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.