CID 24728212

6-bromo-3-iodo-1h-indazole

Structural Information

Molecular Formula

C₇H₄BrIN₂

SMILES

C1=CC2=C(NN=C2C=C1Br)I

InChI

InChI=1S/C7H4BrIN2/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H,10,11)

InChIKey

POXUFQBYDQCUFO-UHFFFAOYSA-N

Compound name

6-bromo-3-iodo-2H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 321.86026 Da
Monoisotopic Mass: 2.9
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]+	322.867536	137.6
[M+Na]+	344.849478	145.6
[M-H]-	320.852984	135.4
[M+NH4]+	339.894083	155.2
[M+K]+	360.823418	139.6
[M+H-H2O]+	304.857520	134.3
[M+HCOO]-	366.858461	153.8
[M+CH3COO]-	380.874111	149.5
[M+Na-2H]-	342.834926	136.2
[M]+	321.85971142	153.1
[M]-	321.86080858	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe