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

582
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 131.0
[M+Na]+ 246.84937 142.0
[M-H]- 222.85287 133.2
[M+NH4]+ 241.89397 152.3
[M+K]+ 262.82331 139.8
[M+H-H2O]+ 206.85741 131.2
[M+HCOO]- 268.85835 133.2
[M+CH3COO]- 282.87400 182.5
[M+Na-2H]- 244.83482 137.3
[M]+ 223.85960 133.3
[M]- 223.86070 133.3
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