CID 139596566

Hopas n=5 m=16

Structural Information

Molecular Formula
C42H65F21O16
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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
InChI
InChI=1S/C42H65F21O16/c43-33(44,34(45,46)35(47,48)36(49,50)37(51,52)38(53,54)39(55,56)40(57,58)41(59,60)42(61,62)63)1-3-65-5-7-67-9-11-69-13-15-71-17-19-73-21-23-75-25-27-77-29-31-79-32-30-78-28-26-76-24-22-74-20-18-72-16-14-70-12-10-68-8-6-66-4-2-64/h64H,1-32H2
InChIKey
PFCMFULNKHLQDY-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)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

1224.3937 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1225.4010 303.4
[M+Na]+ 1247.3829 296.6
[M-H]- 1223.3864 309.3
[M+NH4]+ 1242.4275 319.7
[M+K]+ 1263.3569 316.2
[M+H-H2O]+ 1207.3910 289.0
[M+HCOO]- 1269.3919 309.3
[M+CH3COO]- 1283.4076 320.8
[M+Na-2H]- 1245.3684 287.4
[M]+ 1224.3932 312.7
[M]- 1224.3942 312.7
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.