CID 308124

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

240.01894 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.026216 145.8
[M+Na]+ 263.008158 154.2
[M-H]- 239.011664 149.8
[M+NH4]+ 258.052763 164.2
[M+K]+ 278.982098 151.6
[M+H-H2O]+ 223.016200 141.0
[M+HCOO]- 285.017141 163.9
[M+CH3COO]- 299.032791 189.7
[M+Na-2H]- 260.993606 148.5
[M]+ 240.01839142 150.8
[M]- 240.01948858 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe