CID 139598118

Hopas n=4 m=17

Structural Information

Molecular Formula
C42H69F17O17
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C42H69F17O17/c43-35(44,36(45,46)37(47,48)38(49,50)39(51,52)40(53,54)41(55,56)42(57,58)59)1-3-61-5-7-63-9-11-65-13-15-67-17-19-69-21-23-71-25-27-73-29-31-75-33-34-76-32-30-74-28-26-72-24-22-70-20-18-68-16-14-66-12-10-64-8-6-62-4-2-60/h60H,1-34H2
InChIKey
YYBPOEUXKGUGDB-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1168.4263 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1169.4336 306.4
[M+Na]+ 1191.4155 299.0
[M-H]- 1167.4190 309.3
[M+NH4]+ 1186.4601 322.1
[M+K]+ 1207.3895 316.6
[M+H-H2O]+ 1151.4236 293.5
[M+HCOO]- 1213.4245 311.9
[M+CH3COO]- 1227.4402 321.2
[M+Na-2H]- 1189.4010 287.4
[M]+ 1168.4258 315.9
[M]- 1168.4268 315.9
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.