CID 5949802

5,7-dichloro-1h-imidazo[4,5-b]pyridine

Structural Information

Molecular Formula

C₆H₃Cl₂N₃

SMILES

C1=C(C2=C(N=CN2)N=C1Cl)Cl

InChI

InChI=1S/C6H3Cl2N3/c7-3-1-4(8)11-6-5(3)9-2-10-6/h1-2H,(H,9,10,11)

InChIKey

IKJFWUNKUZVHGU-UHFFFAOYSA-N

Compound name

5,7-dichloro-1H-imidazo[4,5-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 198
Patents: 186.9704 Da
Monoisotopic Mass: 2.3
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]+	187.97768	131.0
[M+Na]+	209.95962	147.2
[M+NH4]+	205.00422	140.1
[M+K]+	225.93356	141.1
[M-H]-	185.96312	131.7
[M+Na-2H]-	207.94507	138.6
[M]+	186.96985	134.1
[M]-	186.97095	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe