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

85
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.

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