CID 139596984

Hopas n=5 m=15

Structural Information

Molecular Formula
C40H61F21O15
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C40H61F21O15/c41-31(42,32(43,44)33(45,46)34(47,48)35(49,50)36(51,52)37(53,54)38(55,56)39(57,58)40(59,60)61)1-3-63-5-7-65-9-11-67-13-15-69-17-19-71-21-23-73-25-27-75-29-30-76-28-26-74-24-22-72-20-18-70-16-14-68-12-10-66-8-6-64-4-2-62/h62H,1-30H2
InChIKey
RVHQHGGGLCXAAC-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1180.3676 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1181.3749 293.5
[M+Na]+ 1203.3568 287.4
[M-H]- 1179.3603 299.6
[M+NH4]+ 1198.4014 309.3
[M+K]+ 1219.3308 306.6
[M+H-H2O]+ 1163.3649 279.1
[M+HCOO]- 1225.3658 300.4
[M+CH3COO]- 1239.3815 316.9
[M+Na-2H]- 1201.3423 278.6
[M]+ 1180.3671 301.3
[M]- 1180.3681 301.3
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.