CID 12443

Tetrabromophthalic anhydride

Structural Information

Molecular Formula
C8Br4O3
SMILES
C12=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OC2=O
InChI
InChI=1S/C8Br4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
InChIKey
QHWKHLYUUZGSCW-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

12903
Patents

459.65808 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.66536 163.6
[M+Na]+ 482.64730 158.5
[M+NH4]+ 477.69190 164.4
[M+K]+ 498.62124 164.9
[M-H]- 458.65080 165.4
[M+Na-2H]- 480.63275 164.3
[M]+ 459.65753 163.8
[M]- 459.65863 163.8
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