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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	517.006676	169.0
[M+Na]+	538.988618	174.5
[M-H]-	514.992124	175.1
[M+NH4]+	534.033223	178.0
[M+K]+	554.962558	184.2
[M+H-H2O]+	498.996660	158.0
[M+HCOO]-	560.997601	189.2
[M+CH3COO]-	575.013251	241.0
[M+Na-2H]-	536.974066	169.5
[M]+	515.99885142	167.4
[M]-	515.99994858	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.