CID 22997478

Ethyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C12H10Cl2O4
SMILES
CCOC(=O)C(=O)CC(=O)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H10Cl2O4/c1-2-18-12(17)11(16)6-10(15)8-4-3-7(13)5-9(8)14/h3-5H,2,6H2,1H3
InChIKey
YVLZWVABZPQWJC-UHFFFAOYSA-N
Compound name
ethyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

287.9956 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.002876 154.0
[M+Na]+ 310.984818 163.3
[M-H]- 286.988324 157.6
[M+NH4]+ 306.029423 171.3
[M+K]+ 326.958758 159.1
[M+H-H2O]+ 270.992860 150.2
[M+HCOO]- 332.993801 166.9
[M+CH3COO]- 347.009451 198.4
[M+Na-2H]- 308.970266 155.1
[M]+ 287.99505142 161.0
[M]- 287.99614858 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe