CID 17763152

Schembl8615905

Structural Information

Molecular Formula

C₁₁H₃F₂₁O₂

SMILES

C(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)(O)O

InChI

InChI=1S/C11H3F21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h1,33-34H

InChIKey

XLRTYAMUIGRELS-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecane-1,1-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 565.9798 Da
Monoisotopic Mass: 6.2
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]+	566.987076	172.8
[M+Na]+	588.969018	175.9
[M-H]-	564.972524	182.1
[M+NH4]+	584.013623	181.5
[M+K]+	604.942958	187.2
[M+H-H2O]+	548.977060	159.7
[M+HCOO]-	610.978001	188.6
[M+CH3COO]-	624.993651	243.5
[M+Na-2H]-	586.954466	172.6
[M]+	565.97925142	170.0
[M]-	565.98034858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe