CID 49758524

380381-18-0

Structural Information

Molecular Formula
C8H6BrN3
SMILES
C1=CC(=NC=C1Br)N2C=CN=C2
InChI
InChI=1S/C8H6BrN3/c9-7-1-2-8(11-5-7)12-4-3-10-6-12/h1-6H
InChIKey
VDNCHISWKASSIB-UHFFFAOYSA-N
Compound name
5-bromo-2-imidazol-1-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

222.9745 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.98178 142.9
[M+Na]+ 245.96372 147.8
[M+NH4]+ 241.00832 147.7
[M+K]+ 261.93766 148.4
[M-H]- 221.96722 143.9
[M+Na-2H]- 243.94917 148.5
[M]+ 222.97395 142.7
[M]- 222.97505 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe