CID 49773968

2-[2-(2, 4-dichloro-phenyl)-vinyl]-5-bromo-1h-benzimidazole

Structural Information

Molecular Formula
C15H9BrCl2N2
SMILES
C1=CC(=C(C=C1/C=C/C2=NC3=C(N2)C=C(C=C3)Br)Cl)Cl
InChI
InChI=1S/C15H9BrCl2N2/c16-10-3-5-13-14(8-10)20-15(19-13)6-2-9-1-4-11(17)12(18)7-9/h1-8H,(H,19,20)/b6-2+
InChIKey
IDTOXFXQBHLIDE-QHHAFSJGSA-N
Compound name
6-bromo-2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.93262 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.93990 170.9
[M+Na]+ 388.92184 187.2
[M-H]- 364.92534 177.3
[M+NH4]+ 383.96644 188.9
[M+K]+ 404.89578 170.4
[M+H-H2O]+ 348.92988 170.5
[M+HCOO]- 410.93082 181.3
[M+CH3COO]- 424.94647 184.4
[M+Na-2H]- 386.90729 176.0
[M]+ 365.93207 192.7
[M]- 365.93317 192.7
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

No patent data available for this compound.