CID 10888353

Methyl 2,3-dichloro-3-oxopropanoate

Structural Information

Molecular Formula
C4H4Cl2O3
SMILES
COC(=O)C(C(=O)Cl)Cl
InChI
InChI=1S/C4H4Cl2O3/c1-9-4(8)2(5)3(6)7/h2H,1H3
InChIKey
VGLAESBBSQCKBP-UHFFFAOYSA-N
Compound name
methyl 2,3-dichloro-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

169.95375 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.96103 126.6
[M+Na]+ 192.94297 137.5
[M+NH4]+ 187.98757 134.0
[M+K]+ 208.91691 133.5
[M-H]- 168.94647 124.6
[M+Na-2H]- 190.92842 129.9
[M]+ 169.95320 127.8
[M]- 169.95430 127.8
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

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