CID 5358562

4,6-dichloro-1h-imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C6H3Cl2N3
SMILES
C1=C2C(=C(N=C1Cl)Cl)N=CN2
InChI
InChI=1S/C6H3Cl2N3/c7-4-1-3-5(6(8)11-4)10-2-9-3/h1-2H,(H,9,10)
InChIKey
FDXNZTUWNBRZDX-UHFFFAOYSA-N
Compound name
4,6-dichloro-1H-imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

186.9704 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97768 131.1
[M+Na]+ 209.95962 144.6
[M-H]- 185.96312 130.3
[M+NH4]+ 205.00422 150.6
[M+K]+ 225.93356 138.4
[M+H-H2O]+ 169.96766 124.7
[M+HCOO]- 231.96860 143.1
[M+CH3COO]- 245.98425 144.6
[M+Na-2H]- 207.94507 138.9
[M]+ 186.96985 133.8
[M]- 186.97095 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

literature stripe

Patent stripe

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