CID 9566

339-65-1

Structural Information

Molecular Formula

C₄H₅Cl₄FO

SMILES

C(CF)OC(C(Cl)(Cl)Cl)Cl

InChI

InChI=1S/C4H5Cl4FO/c5-3(4(6,7)8)10-2-1-9/h3H,1-2H2

InChIKey

NEQRCZVHVQVNSA-UHFFFAOYSA-N

Compound name

1,1,1,2-tetrachloro-2-(2-fluoroethoxy)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.90785 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]+	228.91513	137.7
[M+Na]+	250.89707	146.4
[M-H]-	226.90057	134.1
[M+NH4]+	245.94167	156.4
[M+K]+	266.87101	141.8
[M+H-H2O]+	210.90511	136.0
[M+HCOO]-	272.90605	138.4
[M+CH3COO]-	286.92170	187.4
[M+Na-2H]-	248.88252	141.1
[M]+	227.90730	138.6
[M]-	227.90840	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.