CID 21919249

5-chloro-2-(chloromethyl)-3h-imidazo[4,5-b]pyridine

Structural Information

Molecular Formula
C7H5Cl2N3
SMILES
C1=CC(=NC2=C1NC(=N2)CCl)Cl
InChI
InChI=1S/C7H5Cl2N3/c8-3-6-10-4-1-2-5(9)11-7(4)12-6/h1-2H,3H2,(H,10,11,12)
InChIKey
GPSRYNBOEFIICQ-UHFFFAOYSA-N
Compound name
5-chloro-2-(chloromethyl)-1H-imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

200.98605 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99333 135.8
[M+Na]+ 223.97527 148.8
[M-H]- 199.97877 134.8
[M+NH4]+ 219.01987 154.7
[M+K]+ 239.94921 142.3
[M+H-H2O]+ 183.98331 129.1
[M+HCOO]- 245.98425 147.4
[M+CH3COO]- 259.99990 148.8
[M+Na-2H]- 221.96072 143.0
[M]+ 200.98550 138.8
[M]- 200.98660 138.8
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