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

53
Patents

245.98505 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99233 144.4
[M+Na]+ 268.97427 154.6
[M-H]- 244.97777 148.1
[M+NH4]+ 264.01887 163.5
[M+K]+ 284.94821 150.3
[M+H-H2O]+ 228.98231 140.9
[M+HCOO]- 290.98325 158.4
[M+CH3COO]- 304.99890 190.4
[M+Na-2H]- 266.95972 147.5
[M]+ 245.98450 150.3
[M]- 245.98560 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