CID 12386965

Methyl 3-chloro-2,4-dioxopentanoate

Structural Information

Molecular Formula
C6H7ClO4
SMILES
CC(=O)C(C(=O)C(=O)OC)Cl
InChI
InChI=1S/C6H7ClO4/c1-3(8)4(7)5(9)6(10)11-2/h4H,1-2H3
InChIKey
BPWBJRVOOUFCRG-UHFFFAOYSA-N
Compound name
methyl 3-chloro-2,4-dioxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.00328 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01056 132.2
[M+Na]+ 200.99250 141.4
[M+NH4]+ 196.03710 138.2
[M+K]+ 216.96644 138.9
[M-H]- 176.99600 129.1
[M+Na-2H]- 198.97795 133.9
[M]+ 178.00273 132.4
[M]- 178.00383 132.4
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

No patent data available for this compound.