CID 308125

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

Structural Information

Molecular Formula
C11H9ClO4
SMILES
COC(=O)C(=O)CC(=O)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H9ClO4/c1-16-11(15)10(14)6-9(13)7-3-2-4-8(12)5-7/h2-5H,6H2,1H3
InChIKey
UEZWIRYNFIAZNY-UHFFFAOYSA-N
Compound name
methyl 4-(3-chlorophenyl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

240.01894 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02622 147.3
[M+Na]+ 263.00816 159.3
[M+NH4]+ 258.05276 154.0
[M+K]+ 278.98210 154.5
[M-H]- 239.01166 147.3
[M+Na-2H]- 260.99361 152.4
[M]+ 240.01839 149.1
[M]- 240.01949 149.1
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