CID 66608206

5-bromo-2-(1h-1,2,4-triazol-3-yl)pyridine

Structural Information

Molecular Formula
C7H5BrN4
SMILES
C1=CC(=NC=C1Br)C2=NC=NN2
InChI
InChI=1S/C7H5BrN4/c8-5-1-2-6(9-3-5)7-10-4-11-12-7/h1-4H,(H,10,11,12)
InChIKey
WUPMXGZPJNFYJG-UHFFFAOYSA-N
Compound name
5-bromo-2-(1H-1,2,4-triazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

223.96976 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97704 144.1
[M+Na]+ 246.95898 148.4
[M+NH4]+ 242.00358 148.0
[M+K]+ 262.93292 149.7
[M-H]- 222.96248 143.9
[M+Na-2H]- 244.94443 148.9
[M]+ 223.96921 143.4
[M]- 223.97031 143.4
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