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]+ 210.955946 133.3
[M+Na]+ 232.937888 144.4
[M-H]- 208.941394 136.6
[M+NH4]+ 227.982493 155.3
[M+K]+ 248.911828 141.3
[M+H-H2O]+ 192.945930 131.9
[M+HCOO]- 254.946871 146.4
[M+CH3COO]- 268.962521 178.0
[M+Na-2H]- 230.923336 138.3
[M]+ 209.94812142 137.6
[M]- 209.94921858 137.6
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.