CID 11206876

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

Structural Information

Molecular Formula
C7H5BrN4
SMILES
C1=CC=NC(=C1)N2C=NC(=N2)Br
InChI
InChI=1S/C7H5BrN4/c8-7-10-5-12(11-7)6-3-1-2-4-9-6/h1-5H
InChIKey
MJSLJIWJMXUAOD-UHFFFAOYSA-N
Compound name
2-(3-bromo-1,2,4-triazol-1-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

223.96976 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97704 143.1
[M+Na]+ 246.95898 147.9
[M+NH4]+ 242.00358 147.3
[M+K]+ 262.93292 148.9
[M-H]- 222.96248 143.3
[M+Na-2H]- 244.94443 148.4
[M]+ 223.96921 142.6
[M]- 223.97031 142.6
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