CID 86005543

Dtxsid80895259

Structural Information

Molecular Formula
C11H4F20
SMILES
C(CC(C(C(F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H4F20/c12-3(13,1-2-4(14,15)6(18,19)10(26,27)28)5(16,17)7(20,21)8(22,23)9(24,25)11(29,30)31/h1-2H2
InChIKey
HCEMKYFESQSUFY-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,11-icosafluoroundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

515.9994 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.00668 169.0
[M+Na]+ 538.98862 174.5
[M-H]- 514.99212 175.1
[M+NH4]+ 534.03322 178.0
[M+K]+ 554.96256 184.2
[M+H-H2O]+ 498.99666 158.0
[M+HCOO]- 560.99760 189.2
[M+CH3COO]- 575.01325 241.0
[M+Na-2H]- 536.97407 169.5
[M]+ 515.99885 167.4
[M]- 515.99995 167.4
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.