CID 181262

3,4-dibromobiphenyl

Structural Information

Molecular Formula

C₁₂H₈Br₂

SMILES

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

InChI

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

InChIKey

XIQSOBZINJQGKX-UHFFFAOYSA-N

Compound name

1,2-dibromo-4-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 10
Patents: 309.8993 Da
Monoisotopic Mass: 5.4
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	145.3
[M+Na]+	332.88852	156.2
[M-H]-	308.89202	154.6
[M+NH4]+	327.93312	164.2
[M+K]+	348.86246	140.9
[M+H-H2O]+	292.89656	153.8
[M+HCOO]-	354.89750	162.3
[M+CH3COO]-	368.91315	159.8
[M+Na-2H]-	330.87397	153.2
[M]+	309.89875	178.7
[M]-	309.89985	178.7

Literature stripe

literature stripe

Patent stripe

patents stripe