CID 440410

2,4-dichloro-5-oxo-2,5-dihydro-2-furylacetate

Structural Information

Molecular Formula
C6H4Cl2O4
SMILES
C1=C(C(=O)OC1(CC(=O)O)Cl)Cl
InChI
InChI=1S/C6H4Cl2O4/c7-3-1-6(8,2-4(9)10)12-5(3)11/h1H,2H2,(H,9,10)
InChIKey
RNYNGUYSDYOCLB-UHFFFAOYSA-N
Compound name
2-(2,4-dichloro-5-oxofuran-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

209.94867 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.95595 134.3
[M+Na]+ 232.93789 145.7
[M+NH4]+ 227.98249 142.9
[M+K]+ 248.91183 141.5
[M-H]- 208.94139 134.6
[M+Na-2H]- 230.92334 139.0
[M]+ 209.94812 136.5
[M]- 209.94922 136.5
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

No patent data available for this compound.