CID 5149739

4,5,6,7-tetrabromobenzimidazole

Structural Information

Molecular Formula
C7H2Br4N2
SMILES
C1=NC2=C(N1)C(=C(C(=C2Br)Br)Br)Br
InChI
InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
InChIKey
LOEIRDBRYBHAJB-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

60
References

106
Patents

429.69516 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.70244 141.4
[M+Na]+ 452.68438 149.1
[M-H]- 428.68788 145.3
[M+NH4]+ 447.72898 152.3
[M+K]+ 468.65832 136.7
[M+H-H2O]+ 412.69242 160.5
[M+HCOO]- 474.69336 147.6
[M+CH3COO]- 488.70901 150.0
[M+Na-2H]- 450.66983 145.6
[M]+ 429.69461 180.6
[M]- 429.69571 180.6
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