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]+ 201.993326 135.8
[M+Na]+ 223.975268 148.8
[M-H]- 199.978774 134.8
[M+NH4]+ 219.019873 154.7
[M+K]+ 239.949208 142.3
[M+H-H2O]+ 183.983310 129.1
[M+HCOO]- 245.984251 147.4
[M+CH3COO]- 259.999901 148.8
[M+Na-2H]- 221.960716 143.0
[M]+ 200.98550142 138.8
[M]- 200.98659858 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