CID 20884

Ethoxalyl chloride

Structural Information

Molecular Formula
C4H5ClO3
SMILES
CCOC(=O)C(=O)Cl
InChI
InChI=1S/C4H5ClO3/c1-2-8-4(7)3(5)6/h2H2,1H3
InChIKey
OWZFULPEVHKEKS-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

10211
Patents

135.99272 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe