CID 2724978

4,4,5,5-tetrachloro-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C3Cl4O3
SMILES
C1(=O)OC(C(O1)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C3Cl4O3/c4-2(5)3(6,7)10-1(8)9-2
InChIKey
TXQPIYKVIOKFAB-UHFFFAOYSA-N
Compound name
4,4,5,5-tetrachloro-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

482
Patents

223.86015 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.86743 133.7
[M+Na]+ 246.84937 146.1
[M+NH4]+ 241.89397 144.0
[M+K]+ 262.82331 139.3
[M-H]- 222.85287 135.4
[M+Na-2H]- 244.83482 140.0
[M]+ 223.85960 137.2
[M]- 223.86070 137.2
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