CID 139594558

Hopas n=3 m=18

Structural Information

Molecular Formula
C42H73F13O18
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C42H73F13O18/c43-37(44,38(45,46)39(47,48)40(49,50)41(51,52)42(53,54)55)1-3-57-5-7-59-9-11-61-13-15-63-17-19-65-21-23-67-25-27-69-29-31-71-33-35-73-36-34-72-32-30-70-28-26-68-24-22-66-20-18-64-16-14-62-12-10-60-8-6-58-4-2-56/h56H,1-36H2
InChIKey
CLLNGGGNJKBERF-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)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

1112.459 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1113.4663 311.9
[M+Na]+ 1135.4482 304.0
[M-H]- 1111.4517 311.2
[M+NH4]+ 1130.4928 326.3
[M+K]+ 1151.4222 318.6
[M+H-H2O]+ 1095.4563 301.3
[M+HCOO]- 1157.4572 316.7
[M+CH3COO]- 1171.4729 319.2
[M+Na-2H]- 1133.4337 289.9
[M]+ 1112.4585 321.1
[M]- 1112.4595 321.1
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.