CID 86368

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

Structural Information

Molecular Formula
C5H3Cl3O2
SMILES
C1C(=C(C(=O)O1)Cl)C(Cl)Cl
InChI
InChI=1S/C5H3Cl3O2/c6-3-2(4(7)8)1-10-5(3)9/h4H,1H2
InChIKey
WNQKLIFDPFSPIZ-UHFFFAOYSA-N
Compound name
4-chloro-3-(dichloromethyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

199.91986 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.92714 135.5
[M+Na]+ 222.90908 146.0
[M-H]- 198.91258 138.3
[M+NH4]+ 217.95368 156.3
[M+K]+ 238.88302 142.4
[M+H-H2O]+ 182.91712 133.2
[M+HCOO]- 244.91806 143.8
[M+CH3COO]- 258.93371 180.5
[M+Na-2H]- 220.89453 138.3
[M]+ 199.91931 138.4
[M]- 199.92041 138.4
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