CID 91810

4,5-dibromo-2-phenyl-1h-imidazole

Structural Information

Molecular Formula

C₉H₆Br₂N₂

SMILES

C1=CC=C(C=C1)C2=NC(=C(N2)Br)Br

InChI

InChI=1S/C9H6Br2N2/c10-7-8(11)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)

InChIKey

VOBXKUYQZPXWPJ-UHFFFAOYSA-N

Compound name

4,5-dibromo-2-phenyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 299.88977 Da
Monoisotopic Mass: 3.8
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]+	300.89705	141.2
[M+Na]+	322.87899	153.1
[M-H]-	298.88249	147.9
[M+NH4]+	317.92359	159.4
[M+K]+	338.85293	137.6
[M+H-H2O]+	282.88703	149.3
[M+HCOO]-	344.88797	156.8
[M+CH3COO]-	358.90362	155.4
[M+Na-2H]-	320.86444	148.4
[M]+	299.88922	174.0
[M]-	299.89032	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe