CID 14355182

Methyl 2-chloro-3-oxopropanoate

Structural Information

Molecular Formula
C4H5ClO3
SMILES
COC(=O)C(C=O)Cl
InChI
InChI=1S/C4H5ClO3/c1-8-4(7)3(5)2-6/h2-3H,1H3
InChIKey
LXSUVYGZODASAI-UHFFFAOYSA-N
Compound name
methyl 2-chloro-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

135.99272 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.00000 121.5
[M+Na]+ 158.98194 132.3
[M+NH4]+ 154.02654 129.0
[M+K]+ 174.95588 128.1
[M-H]- 134.98544 119.8
[M+Na-2H]- 156.96739 125.1
[M]+ 135.99217 122.5
[M]- 135.99327 122.5
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