CID 2763944

Methyl 4-(3,4-dichlorophenyl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C11H8Cl2O4
SMILES
COC(=O)C(=O)CC(=O)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H8Cl2O4/c1-17-11(16)10(15)5-9(14)6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3
InChIKey
WKHLTIOERAWZTL-UHFFFAOYSA-N
Compound name
methyl 4-(3,4-dichlorophenyl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

273.97995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.98723 149.3
[M+Na]+ 296.96917 159.0
[M-H]- 272.97267 153.0
[M+NH4]+ 292.01377 167.1
[M+K]+ 312.94311 155.0
[M+H-H2O]+ 256.97721 145.7
[M+HCOO]- 318.97815 162.5
[M+CH3COO]- 332.99380 195.5
[M+Na-2H]- 294.95462 150.9
[M]+ 273.97940 155.9
[M]- 273.98050 155.9
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