CID 153878

2,3-dibromobiphenyl

Structural Information

Molecular Formula

C₁₂H₈Br₂

SMILES

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

InChI

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

InChIKey

ODVMOIOUMCXTPS-UHFFFAOYSA-N

Compound name

1,2-dibromo-3-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 872
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]+	310.906576	145.3
[M+Na]+	332.888518	156.2
[M-H]-	308.892024	154.6
[M+NH4]+	327.933123	164.2
[M+K]+	348.862458	140.9
[M+H-H2O]+	292.896560	153.8
[M+HCOO]-	354.897501	162.3
[M+CH3COO]-	368.913151	159.8
[M+Na-2H]-	330.873966	153.2
[M]+	309.89875142	178.7
[M]-	309.89984858	178.7

Literature stripe

literature stripe

Patent stripe

patents stripe