CID 90490

3,4,5,6-tetrabromophthalimide

Structural Information

Molecular Formula
C8HBr4NO2
SMILES
C12=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)NC2=O
InChI
InChI=1S/C8HBr4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)
InChIKey
QRFTXHFUNIFHST-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromoisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1963
Patents

458.67407 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.68135 147.9
[M+Na]+ 481.66329 155.1
[M-H]- 457.66679 151.9
[M+NH4]+ 476.70789 158.6
[M+K]+ 497.63723 142.4
[M+H-H2O]+ 441.67133 166.4
[M+HCOO]- 503.67227 153.2
[M+CH3COO]- 517.68792 236.1
[M+Na-2H]- 479.64874 150.3
[M]+ 458.67352 186.4
[M]- 458.67462 186.4
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