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

23
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 145.8
[M+Na]+ 263.00816 154.2
[M-H]- 239.01166 149.8
[M+NH4]+ 258.05276 164.2
[M+K]+ 278.98210 151.6
[M+H-H2O]+ 223.01620 141.0
[M+HCOO]- 285.01714 163.9
[M+CH3COO]- 299.03279 189.7
[M+Na-2H]- 260.99361 148.5
[M]+ 240.01839 150.8
[M]- 240.01949 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