CID 162396608

Dtxsid701033479

Structural Information

Molecular Formula
C39H61F17O10
SMILES
CCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCC(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/C39H61F17O10/c1-2-3-4-5-6-7-8-9-10-11-12-31(57)66-30-29-65-28-27-64-26-25-63-24-23-62-22-21-61-20-19-60-18-17-59-16-15-58-14-13-32(40,41)33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56/h2-30H2,1H3
InChIKey
VZDDXBBIWOUAKI-UHFFFAOYSA-N
Compound name
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]ethyl tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1012.39935 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1013.4066 277.6
[M+Na]+ 1035.3886 275.6
[M-H]- 1011.3921 280.7
[M+NH4]+ 1030.4332 292.8
[M+K]+ 1051.3625 292.9
[M+H-H2O]+ 995.39661 265.8
[M+HCOO]- 1057.3976 286.0
[M+CH3COO]- 1071.4132 310.3
[M+Na-2H]- 1033.3740 263.3
[M]+ 1012.3988 280.7
[M]- 1012.3999 280.7
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.