CID 12080

619-33-0

Structural Information

Molecular Formula

C₆H₁₂Cl₂O₂

SMILES

CCOC(C(Cl)Cl)OCC

InChI

InChI=1S/C6H12Cl2O2/c1-3-9-6(5(7)8)10-4-2/h5-6H,3-4H2,1-2H3

InChIKey

CDHLQZJRWKQATP-UHFFFAOYSA-N

Compound name

1,1-dichloro-2,2-diethoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 186.02144 Da
Monoisotopic Mass: 2.2
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]+	187.02872	134.1
[M+Na]+	209.01066	145.4
[M+NH4]+	204.05526	142.4
[M+K]+	224.98460	139.7
[M-H]-	185.01416	133.2
[M+Na-2H]-	206.99611	137.9
[M]+	186.02089	135.9
[M]-	186.02199	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe