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

146
Patents

135.99272 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.999996 120.3
[M+Na]+ 158.981938 129.4
[M-H]- 134.985444 121.2
[M+NH4]+ 154.026543 143.0
[M+K]+ 174.955878 128.6
[M+H-H2O]+ 118.989980 117.3
[M+HCOO]- 180.990921 139.5
[M+CH3COO]- 195.006571 170.2
[M+Na-2H]- 156.967386 125.8
[M]+ 135.99217142 124.3
[M]- 135.99326858 124.3
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