CID 24786826

2-chloro-4-(1h-imidazol-2-yl)-pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.02502 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.032296 133.9
[M+Na]+ 202.014238 144.2
[M-H]- 178.017744 135.3
[M+NH4]+ 197.058843 151.6
[M+K]+ 217.988178 138.9
[M+H-H2O]+ 162.022280 125.7
[M+HCOO]- 224.023221 150.7
[M+CH3COO]- 238.038871 146.8
[M+Na-2H]- 199.999686 140.7
[M]+ 179.02447142 133.4
[M]- 179.02556858 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