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

121
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 120.3
[M+Na]+ 158.98194 129.4
[M-H]- 134.98544 121.2
[M+NH4]+ 154.02654 143.0
[M+K]+ 174.95588 128.6
[M+H-H2O]+ 118.98998 117.3
[M+HCOO]- 180.99092 139.5
[M+CH3COO]- 195.00657 170.2
[M+Na-2H]- 156.96739 125.8
[M]+ 135.99217 124.3
[M]- 135.99327 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