CID 75358

Benzimidazole, 4,5,6,7-tetrabromo-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8HBr4F3N2
SMILES
C12=C(C(=C(C(=C1Br)Br)Br)Br)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HBr4F3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)
InChIKey
AGSFSCDYZMGUGS-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

497.68253 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.68981 160.5
[M+Na]+ 520.67175 168.3
[M-H]- 496.67525 163.1
[M+NH4]+ 515.71635 170.3
[M+K]+ 536.64569 155.1
[M+H-H2O]+ 480.67979 178.3
[M+HCOO]- 542.68073 164.6
[M+CH3COO]- 556.69638 238.0
[M+Na-2H]- 518.65720 162.3
[M]+ 497.68198 198.0
[M]- 497.68308 198.0
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