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

99
Patents

223.96976 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.977036 135.4
[M+Na]+ 246.958978 148.7
[M-H]- 222.962484 139.0
[M+NH4]+ 242.003583 153.2
[M+K]+ 262.932918 137.0
[M+H-H2O]+ 206.967020 133.7
[M+HCOO]- 268.967961 154.1
[M+CH3COO]- 282.983611 150.0
[M+Na-2H]- 244.944426 144.6
[M]+ 223.96921142 152.4
[M]- 223.97030858 152.4
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