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

173
Patents

186.9704 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.977676 131.1
[M+Na]+ 209.959618 144.6
[M-H]- 185.963124 130.3
[M+NH4]+ 205.004223 150.6
[M+K]+ 225.933558 138.4
[M+H-H2O]+ 169.967660 124.7
[M+HCOO]- 231.968601 143.1
[M+CH3COO]- 245.984251 144.6
[M+Na-2H]- 207.945066 138.9
[M]+ 186.96985142 133.8
[M]- 186.97094858 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe