CID 55267592

2-chloro-5-(1h-imidazol-2-yl)-pyridine

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1=CC(=NC=C1C2=NC=CN2)Cl
InChI
InChI=1S/C8H6ClN3/c9-7-2-1-6(5-12-7)8-10-3-4-11-8/h1-5H,(H,10,11)
InChIKey
WNHGEKOQAHZFAG-UHFFFAOYSA-N
Compound name
2-chloro-5-(1H-imidazol-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

179.02502 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03230 133.9
[M+Na]+ 202.01424 144.2
[M-H]- 178.01774 135.3
[M+NH4]+ 197.05884 151.6
[M+K]+ 217.98818 138.9
[M+H-H2O]+ 162.02228 125.7
[M+HCOO]- 224.02322 150.7
[M+CH3COO]- 238.03887 146.8
[M+Na-2H]- 199.99969 140.7
[M]+ 179.02447 133.4
[M]- 179.02557 133.4
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