CID 23438547

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

Structural Information

Molecular Formula
C8H6BrN3
SMILES
C1=CC(=NC=C1Br)C2=NC=CN2
InChI
InChI=1S/C8H6BrN3/c9-6-1-2-7(12-5-6)8-10-3-4-11-8/h1-5H,(H,10,11)
InChIKey
OZKHSJCPLPWZKI-UHFFFAOYSA-N
Compound name
5-bromo-2-(1H-imidazol-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

222.9745 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.981776 137.0
[M+Na]+ 245.963718 149.8
[M-H]- 221.967224 141.7
[M+NH4]+ 241.008323 156.2
[M+K]+ 261.937658 138.1
[M+H-H2O]+ 205.971760 135.8
[M+HCOO]- 267.972701 156.7
[M+CH3COO]- 281.988351 151.9
[M+Na-2H]- 243.949166 145.6
[M]+ 222.97395142 153.8
[M]- 222.97504858 153.8
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