CID 139597090

Hopas n=5 m=10

Structural Information

Molecular Formula
C30H41F21O10
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C30H41F21O10/c31-21(32,22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)27(43,44)28(45,46)29(47,48)30(49,50)51)1-3-53-5-7-55-9-11-57-13-15-59-17-19-61-20-18-60-16-14-58-12-10-56-8-6-54-4-2-52/h52H,1-20H2
InChIKey
SIUDYMSAXNLUCW-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

960.23645 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 961.24373 246.7
[M+Na]+ 983.22567 244.1
[M-H]- 959.22917 253.6
[M+NH4]+ 978.27027 260.0
[M+K]+ 999.19961 260.7
[M+H-H2O]+ 943.23371 232.7
[M+HCOO]- 1005.2347 258.3
[M+CH3COO]- 1019.2503 294.6
[M+Na-2H]- 981.21112 237.1
[M]+ 960.23590 248.6
[M]- 960.23700 248.6
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.