CID 162396495

Dtxsid801032662

Structural Information

Molecular Formula

C₁₀H₄F₁₆O

SMILES

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)O

InChI

InChI=1S/C10H4F16O/c11-3(1-2-27)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1,27H,2H2

InChIKey

FLEHTDGKLLDEFH-UHFFFAOYSA-N

Compound name

3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 444.00067 Da
Monoisotopic Mass: 4.9
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]+	445.007946	183.8
[M+Na]+	466.989888	164.4
[M-H]-	442.993394	163.2
[M+NH4]+	462.034493	165.3
[M+K]+	482.963828	188.2
[M+H-H2O]+	426.997930	169.0
[M+HCOO]-	488.998871	176.1
[M+CH3COO]-	503.014521	226.5
[M+Na-2H]-	464.975336	184.5
[M]+	444.00012142	155.5
[M]-	444.00121858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.