CID 180583

2,5-dibromobiphenyl

Structural Information

Molecular Formula

C₁₂H₈Br₂

SMILES

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

InChI

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

InChIKey

MHQCPXUMZCNOSF-UHFFFAOYSA-N

Compound name

1,4-dibromo-2-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 197
Patents: 309.8993 Da
Monoisotopic Mass: 5.3
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