CID 139595245

Hopas n=4 m=18

Structural Information

Molecular Formula
C44H73F17O18
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C44H73F17O18/c45-37(46,38(47,48)39(49,50)40(51,52)41(53,54)42(55,56)43(57,58)44(59,60)61)1-3-63-5-7-65-9-11-67-13-15-69-17-19-71-21-23-73-25-27-75-29-31-77-33-35-79-36-34-78-32-30-76-28-26-74-24-22-72-20-18-70-16-14-68-12-10-66-8-6-64-4-2-62/h62H,1-36H2
InChIKey
HJWJRQMQUINMRR-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1212.4525 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1213.4598 317.1
[M+Na]+ 1235.4417 309.0
[M-H]- 1211.4452 319.8
[M+NH4]+ 1230.4863 333.3
[M+K]+ 1251.4157 327.1
[M+H-H2O]+ 1195.4498 304.2
[M+HCOO]- 1257.4507 321.5
[M+CH3COO]- 1271.4664 325.4
[M+Na-2H]- 1233.4272 297.0
[M]+ 1212.4520 328.3
[M]- 1212.4530 328.3
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.