CID 75025

2-iodobiphenyl

Structural Information

Molecular Formula

C₁₂H₉I

SMILES

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

InChI

InChI=1S/C12H9I/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H

InChIKey

QFUYDAGNUJWBSM-UHFFFAOYSA-N

Compound name

1-iodo-2-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1775
Patents: 279.9749 Da
Monoisotopic Mass: 4.2
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]+	280.98218	142.7
[M+Na]+	302.96412	143.7
[M-H]-	278.96762	142.0
[M+NH4]+	298.00872	157.8
[M+K]+	318.93806	145.9
[M+H-H2O]+	262.97216	132.4
[M+HCOO]-	324.97310	162.2
[M+CH3COO]-	338.98875	152.2
[M+Na-2H]-	300.94957	138.8
[M]+	279.97435	138.9
[M]-	279.97545	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe