CID 139596257

Hopas n=5 m=7

Structural Information

Molecular Formula
C24H29F21O7
SMILES
C(COCCOCCOCCOCCOCCOCCO)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/C24H29F21O7/c25-15(26,1-3-47-5-7-49-9-11-51-13-14-52-12-10-50-8-6-48-4-2-46)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)21(37,38)22(39,40)23(41,42)24(43,44)45/h46H,1-14H2
InChIKey
NMBLBFBSECLQNE-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

828.1578 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.16508 153.2
[M+Na]+ 851.14702 153.2
[M+NH4]+ 846.19162 153.2
[M+K]+ 867.12096 153.2
[M-H]- 827.15052 153.2
[M+Na-2H]- 849.13247 153.1
[M]+ 828.15725 153.2
[M]- 828.15835 153.2
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.