CID 53665

3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone

Structural Information

Molecular Formula
C5H3Cl3O3
SMILES
C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O
InChI
InChI=1S/C5H3Cl3O3/c6-2-1(3(7)8)4(9)11-5(2)10/h3-4,9H
InChIKey
WNTRMRXAGJOLCU-UHFFFAOYSA-N
Compound name
4-chloro-3-(dichloromethyl)-2-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

153
References

136
Patents

215.91478 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.92206 136.9
[M+Na]+ 238.90400 147.8
[M-H]- 214.90750 138.9
[M+NH4]+ 233.94860 156.7
[M+K]+ 254.87794 144.0
[M+H-H2O]+ 198.91204 135.2
[M+HCOO]- 260.91298 144.1
[M+CH3COO]- 274.92863 181.2
[M+Na-2H]- 236.88945 138.9
[M]+ 215.91423 139.9
[M]- 215.91533 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe