CID 76348

4,4'-diiodobiphenyl

Structural Information

Molecular Formula

C₁₂H₈I₂

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)I)I

InChI

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

InChIKey

GPYDMVZCPRONLW-UHFFFAOYSA-N

Compound name

1-iodo-4-(4-iodophenyl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 2403
Patents: 405.87155 Da
Monoisotopic Mass: 5.7
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	155.1
[M+Na]+	428.86077	154.2
[M+NH4]+	423.90537	155.9
[M+K]+	444.83471	153.6
[M-H]-	404.86427	148.2
[M+Na-2H]-	426.84622	143.5
[M]+	405.87100	151.3
[M]-	405.87210	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe