CID 54593421

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

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1=CN=C(C=C1N2C=CN=C2)Cl
InChI
InChI=1S/C8H6ClN3/c9-8-5-7(1-2-11-8)12-4-3-10-6-12/h1-6H
InChIKey
YZPODHNWIOMTGC-UHFFFAOYSA-N
Compound name
2-chloro-4-imidazol-1-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 133.4
[M+Na]+ 202.014238 144.2
[M-H]- 178.017744 136.2
[M+NH4]+ 197.058843 151.8
[M+K]+ 217.988178 139.8
[M+H-H2O]+ 162.022280 124.9
[M+HCOO]- 224.023221 151.7
[M+CH3COO]- 238.038871 147.0
[M+Na-2H]- 199.999686 140.6
[M]+ 179.02447142 134.7
[M]- 179.02556858 134.7
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