CID 102515187

2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate

Structural Information

Molecular Formula
C6H4Cl2O4
SMILES
C1=CC(OC1=O)(C(C(=O)O)Cl)Cl
InChI
InChI=1S/C6H4Cl2O4/c7-4(5(10)11)6(8)2-1-3(9)12-6/h1-2,4H,(H,10,11)
InChIKey
SDQUHKGJIQHYHQ-UHFFFAOYSA-N
Compound name
2-chloro-2-(2-chloro-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

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.95595 134.1
[M+Na]+ 232.93789 144.0
[M-H]- 208.94139 137.2
[M+NH4]+ 227.98249 155.7
[M+K]+ 248.91183 141.4
[M+H-H2O]+ 192.94593 132.5
[M+HCOO]- 254.94687 146.2
[M+CH3COO]- 268.96252 177.7
[M+Na-2H]- 230.92334 138.5
[M]+ 209.94812 137.5
[M]- 209.94922 137.5
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.