CID 15310843

Chembl574339

Structural Information

Molecular Formula

C₁₅H₁₁BrN₂

SMILES

C1=CC=C(C=C1)/C=C/C2=NC3=C(N2)C=C(C=C3)Br

InChI

InChI=1S/C15H11BrN2/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h1-10H,(H,17,18)/b9-6+

InChIKey

BPFGIDLJLIKONJ-RMKNXTFCSA-N

Compound name

6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 298.01056 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	299.01784	160.6
[M+Na]+	320.99978	173.8
[M-H]-	297.00328	167.4
[M+NH4]+	316.04438	179.3
[M+K]+	336.97372	159.7
[M+H-H2O]+	281.00782	159.5
[M+HCOO]-	343.00876	180.5
[M+CH3COO]-	357.02441	174.6
[M+Na-2H]-	318.98523	168.2
[M]+	298.01001	179.0
[M]-	298.01111	179.0

Literature stripe

literature stripe

Patent stripe

patents stripe