CID 165362540

Dtxsid701348777

Structural Information

Molecular Formula

C₈H₅F₁₁O₂

SMILES

C(C(=O)CO)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8H5F11O2/c9-4(10,1-3(21)2-20)5(11,12)6(13,14)7(15,16)8(17,18)19/h20H,1-2H2

InChIKey

TUIZCBLTSMVZHV-UHFFFAOYSA-N

Compound name

4,4,5,5,6,6,7,7,8,8,8-undecafluoro-1-hydroxyoctan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 342.01138 Da
Monoisotopic Mass: 3.0
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]+	343.018656	160.7
[M+Na]+	365.000598	169.2
[M-H]-	341.004104	147.1
[M+NH4]+	360.045203	172.6
[M+K]+	380.974538	166.4
[M+H-H2O]+	325.008640	148.9
[M+HCOO]-	387.009581	162.7
[M+CH3COO]-	401.025231	208.1
[M+Na-2H]-	362.986046	163.4
[M]+	342.01083142	144.1
[M]-	342.01192858	144.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.