CID 8371

Chloranil

Structural Information

Molecular Formula
C6Cl4O2
SMILES
C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChIKey
UGNWTBMOAKPKBL-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

292
References

49478
Patents

243.86523 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.87251 138.9
[M+Na]+ 266.85445 151.6
[M-H]- 242.85795 140.4
[M+NH4]+ 261.89905 157.8
[M+K]+ 282.82839 146.1
[M+H-H2O]+ 226.86249 137.8
[M+HCOO]- 288.86343 142.9
[M+CH3COO]- 302.87908 191.3
[M+Na-2H]- 264.83990 140.7
[M]+ 243.86468 141.3
[M]- 243.86578 141.3
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.