CID 2758179

677326-67-9

Structural Information

Molecular Formula
C10H8Cl2O3
SMILES
COC(=O)CC(=O)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H8Cl2O3/c1-15-10(14)5-9(13)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3
InChIKey
HEHYOAAIZBKHJZ-UHFFFAOYSA-N
Compound name
methyl 3-(3,4-dichlorophenyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

245.98505 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.992326 144.4
[M+Na]+ 268.974268 154.6
[M-H]- 244.977774 148.1
[M+NH4]+ 264.018873 163.5
[M+K]+ 284.948208 150.3
[M+H-H2O]+ 228.982310 140.9
[M+HCOO]- 290.983251 158.4
[M+CH3COO]- 304.998901 190.4
[M+Na-2H]- 266.959716 147.5
[M]+ 245.98450142 150.3
[M]- 245.98559858 150.3
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