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
4
Annotation Hits

19
References

13899
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 150.8
[M+Na]+ 482.64730 158.1
[M-H]- 458.65080 155.8
[M+NH4]+ 477.69190 161.6
[M+K]+ 498.62124 146.3
[M+H-H2O]+ 442.65534 169.1
[M+HCOO]- 504.65628 156.6
[M+CH3COO]- 518.67193 236.7
[M+Na-2H]- 480.63275 153.3
[M]+ 459.65753 190.2
[M]- 459.65863 190.2
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