CID 4149059

Diethylmalonyl dichloride

Structural Information

Molecular Formula

C₇H₁₀Cl₂O₂

SMILES

CCC(CC)(C(=O)Cl)C(=O)Cl

InChI

InChI=1S/C7H10Cl2O2/c1-3-7(4-2,5(8)10)6(9)11/h3-4H2,1-2H3

InChIKey

FWKCXFPQSXNCBW-UHFFFAOYSA-N

Compound name

2,2-diethylpropanedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 245
Patents: 196.00578 Da
Monoisotopic Mass: 3.1
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]+	197.01306	136.1
[M+Na]+	218.99500	144.7
[M-H]-	194.99850	136.3
[M+NH4]+	214.03960	156.9
[M+K]+	234.96894	141.3
[M+H-H2O]+	179.00304	134.1
[M+HCOO]-	241.00398	147.6
[M+CH3COO]-	255.01963	182.9
[M+Na-2H]-	216.98045	140.1
[M]+	196.00523	140.3
[M]-	196.00633	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe