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: 143
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	134.7
[M+Na]+	209.01066	142.7
[M-H]-	185.01416	134.5
[M+NH4]+	204.05526	155.9
[M+K]+	224.98460	140.3
[M+H-H2O]+	169.01870	132.1
[M+HCOO]-	231.01964	147.6
[M+CH3COO]-	245.03529	181.6
[M+Na-2H]-	206.99611	138.4
[M]+	186.02089	140.3
[M]-	186.02199	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe