CID 102515042

2-(2,4-dichloro-5-oxofuran-2-yl)propanoate

Structural Information

Molecular Formula
C7H6Cl2O4
SMILES
CC(C(=O)O)C1(C=C(C(=O)O1)Cl)Cl
InChI
InChI=1S/C7H6Cl2O4/c1-3(5(10)11)7(9)2-4(8)6(12)13-7/h2-3H,1H3,(H,10,11)
InChIKey
BPZDQHNUFMZFMW-UHFFFAOYSA-N
Compound name
2-(2,4-dichloro-5-oxofuran-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

223.96431 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97159 138.9
[M+Na]+ 246.95353 149.7
[M+NH4]+ 241.99813 147.1
[M+K]+ 262.92747 146.0
[M-H]- 222.95703 138.9
[M+Na-2H]- 244.93898 142.9
[M]+ 223.96376 140.8
[M]- 223.96486 140.8
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.