CID 21115677

Ethyl 2,2-dichloroaceto-acetate

Structural Information

Molecular Formula
C8H10Cl2O4
SMILES
CCOC(=O)C(C(=O)CCl)C(=O)CCl
InChI
InChI=1S/C8H10Cl2O4/c1-2-14-8(13)7(5(11)3-9)6(12)4-10/h7H,2-4H2,1H3
InChIKey
QJISDUHGLJYBOW-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-2-(2-chloroacetyl)-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.99562 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.002896 143.3
[M+Na]+ 262.984838 151.0
[M-H]- 238.988344 143.4
[M+NH4]+ 258.029443 162.1
[M+K]+ 278.958778 148.3
[M+H-H2O]+ 222.992880 140.8
[M+HCOO]- 284.993821 155.1
[M+CH3COO]- 299.009471 189.7
[M+Na-2H]- 260.970286 144.0
[M]+ 239.99507142 149.5
[M]- 239.99616858 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.