CID 542007

Ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate

Structural Information

Molecular Formula
C11H10Cl2O3
SMILES
CCOC(=O)CC(=O)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H10Cl2O3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
InChIKey
QJVFFNRCSJWXPE-UHFFFAOYSA-N
Compound name
ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

260.0007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.007976 149.2
[M+Na]+ 282.989918 158.9
[M-H]- 258.993424 152.7
[M+NH4]+ 278.034523 167.7
[M+K]+ 298.963858 154.4
[M+H-H2O]+ 242.997960 145.4
[M+HCOO]- 304.998901 162.8
[M+CH3COO]- 319.014551 193.4
[M+Na-2H]- 280.975366 151.7
[M]+ 260.00015142 155.5
[M]- 260.00124858 155.5
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