CID 97046714

7-bromo-3-iodo-1h-pyrazolo[4,3-c]pyridine

Structural Information

Molecular Formula

C₆H₃BrIN₃

SMILES

C1=C(C2=NNC(=C2C=N1)I)Br

InChI

InChI=1S/C6H3BrIN3/c7-4-2-9-1-3-5(4)10-11-6(3)8/h1-2H,(H,10,11)

InChIKey

DWYQFKPEXZUFNE-UHFFFAOYSA-N

Compound name

7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 322.8555 Da
Monoisotopic Mass: 1.9
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]+	323.86278	145.3
[M+Na]+	345.84472	143.8
[M+NH4]+	340.88932	146.4
[M+K]+	361.81866	147.5
[M-H]-	321.84822	139.4
[M+Na-2H]-	343.83017	138.1
[M]+	322.85495	141.4
[M]-	322.85605	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe