CID 24729561

4-bromo-3-iodo-7-azaindole

Structural Information

Molecular Formula

C₇H₄BrIN₂

SMILES

C1=CN=C2C(=C1Br)C(=CN2)I

InChI

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

InChIKey

HBIIPYGVYOJSOV-UHFFFAOYSA-N

Compound name

4-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 321.86026 Da
Monoisotopic Mass: 2.7
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]+	322.86754	145.6
[M+Na]+	344.84948	144.1
[M+NH4]+	339.89408	147.2
[M+K]+	360.82342	147.3
[M-H]-	320.85298	140.3
[M+Na-2H]-	342.83493	138.5
[M]+	321.85971	141.9
[M]-	321.86081	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe