CID 137510

2,2'-diiodobiphenyl

Structural Information

Molecular Formula

C₁₂H₈I₂

SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2I)I

InChI

InChI=1S/C12H8I2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H

InChIKey

OZVRXSGTNWILMN-UHFFFAOYSA-N

Compound name

1-iodo-2-(2-iodophenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 624
Patents: 405.87155 Da
Monoisotopic Mass: 4.8
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]+	406.87883	155.5
[M+Na]+	428.86077	149.3
[M-H]-	404.86427	149.0
[M+NH4]+	423.90537	163.8
[M+K]+	444.83471	157.4
[M+H-H2O]+	388.86881	142.7
[M+HCOO]-	450.86975	167.7
[M+CH3COO]-	464.88540	206.2
[M+Na-2H]-	426.84622	144.0
[M]+	405.87100	149.7
[M]-	405.87210	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe