CID 71652106

1401687-55-5

Structural Information

Molecular Formula

C₆H₃BrClN₃

SMILES

C1=C2C(=C(C=N1)Br)N=C(N2)Cl

InChI

InChI=1S/C6H3BrClN3/c7-3-1-9-2-4-5(3)11-6(8)10-4/h1-2H,(H,10,11)

InChIKey

BNJVAVZOMNSZLO-UHFFFAOYSA-N

Compound name

7-bromo-2-chloro-3H-imidazo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.91989 Da
Monoisotopic Mass: 2.1
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]+	231.92717	141.2
[M+Na]+	253.90911	146.9
[M+NH4]+	248.95371	146.3
[M+K]+	269.88305	147.2
[M-H]-	229.91261	140.6
[M+Na-2H]-	251.89456	144.9
[M]+	230.91934	140.9
[M]-	230.92044	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.