CID 248391

Ethyl 2,2-dichloro-2-ethoxyacetate

Structural Information

Molecular Formula

C₆H₁₀Cl₂O₃

SMILES

CCOC(=O)C(OCC)(Cl)Cl

InChI

InChI=1S/C6H10Cl2O3/c1-3-10-5(9)6(7,8)11-4-2/h3-4H2,1-2H3

InChIKey

LISFRSVACTWQKK-UHFFFAOYSA-N

Compound name

ethyl 2,2-dichloro-2-ethoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 200.0007 Da
Monoisotopic Mass: 2.0
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]+	201.00798	136.2
[M+Na]+	222.98992	145.2
[M-H]-	198.99342	136.4
[M+NH4]+	218.03452	157.0
[M+K]+	238.96386	142.7
[M+H-H2O]+	182.99796	134.0
[M+HCOO]-	244.99890	149.0
[M+CH3COO]-	259.01455	181.4
[M+Na-2H]-	220.97537	141.9
[M]+	200.00015	142.6
[M]-	200.00125	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe