CID 102514979

2-chloro-2-(2,4-dichloro-5-oxofuran-2-yl)acetate

Structural Information

Molecular Formula
C6H3Cl3O4
SMILES
C1=C(C(=O)OC1(C(C(=O)O)Cl)Cl)Cl
InChI
InChI=1S/C6H3Cl3O4/c7-2-1-6(9,13-5(2)12)3(8)4(10)11/h1,3H,(H,10,11)
InChIKey
SLIIQDRTGIAUJS-UHFFFAOYSA-N
Compound name
2-chloro-2-(2,4-dichloro-5-oxofuran-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

243.9097 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.91698 138.8
[M+Na]+ 266.89892 149.3
[M-H]- 242.90242 141.1
[M+NH4]+ 261.94352 159.1
[M+K]+ 282.87286 145.7
[M+H-H2O]+ 226.90696 138.1
[M+HCOO]- 288.90790 145.5
[M+CH3COO]- 302.92355 184.5
[M+Na-2H]- 264.88437 141.6
[M]+ 243.90915 142.4
[M]- 243.91025 142.4
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.