CID 3067344

2h-indazole, 2-(4-iodophenyl)-

Structural Information

Molecular Formula

C₁₃H₉IN₂

SMILES

C1=CC2=CN(N=C2C=C1)C3=CC=C(C=C3)I

InChI

InChI=1S/C13H9IN2/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15-16/h1-9H

InChIKey

OLPARULXFXIQHB-UHFFFAOYSA-N

Compound name

2-(4-iodophenyl)indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 319.98105 Da
Monoisotopic Mass: 3.9
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]+	320.98833	153.0
[M+Na]+	342.97027	161.9
[M+NH4]+	338.01487	158.4
[M+K]+	358.94421	158.2
[M-H]-	318.97377	151.4
[M+Na-2H]-	340.95572	150.8
[M]+	319.98050	153.0
[M]-	319.98160	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe