CID 2763945

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

Structural Information

Molecular Formula
C11H9ClO4
SMILES
COC(=O)C(=O)CC(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C11H9ClO4/c1-16-11(15)10(14)6-9(13)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3
InChIKey
GNKBFLQRYZPLOA-UHFFFAOYSA-N
Compound name
methyl 4-(2-chlorophenyl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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

No literature data available for this compound.

Patent stripe

patents stripe