CID 153987

3,3'-dibromo-1,1'-biphenyl

Structural Information

Molecular Formula

C₁₂H₈Br₂

SMILES

C1=CC(=CC(=C1)Br)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H8Br2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H

InChIKey

LPLLWKZDMKTEMV-UHFFFAOYSA-N

Compound name

1-bromo-3-(3-bromophenyl)benzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 713
Patents: 309.8993 Da
Monoisotopic Mass: 4.9
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]+	310.90658	149.3
[M+Na]+	332.88852	146.5
[M+NH4]+	327.93312	152.4
[M+K]+	348.86246	151.4
[M-H]-	308.89202	152.2
[M+Na-2H]-	330.87397	153.5
[M]+	309.89875	148.8
[M]-	309.89985	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe