CID 8326

Tetrachlorophthalic anhydride

Structural Information

Molecular Formula
C8Cl4O3
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O
InChI
InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
InChIKey
AUHHYELHRWCWEZ-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

24
References

20802
Patents

283.86017 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.86745 153.1
[M+Na]+ 306.84939 167.0
[M-H]- 282.85289 156.1
[M+NH4]+ 301.89399 172.0
[M+K]+ 322.82333 162.0
[M+H-H2O]+ 266.85743 151.7
[M+HCOO]- 328.85837 155.9
[M+CH3COO]- 342.87402 197.5
[M+Na-2H]- 304.83484 154.3
[M]+ 283.85962 158.1
[M]- 283.86072 158.1
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