CID 129963813

2742657-30-1

Structural Information

Molecular Formula
C7H6BrN3
SMILES
C1=CC2=NN=C(N2C=C1)CBr
InChI
InChI=1S/C7H6BrN3/c8-5-7-10-9-6-3-1-2-4-11(6)7/h1-4H,5H2
InChIKey
XGFDEXASIRLFNW-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.9745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.981776 132.5
[M+Na]+ 233.963718 147.4
[M-H]- 209.967224 136.7
[M+NH4]+ 229.008323 154.3
[M+K]+ 249.937658 136.6
[M+H-H2O]+ 193.971760 131.9
[M+HCOO]- 255.972701 153.8
[M+CH3COO]- 269.988351 148.7
[M+Na-2H]- 231.949166 143.6
[M]+ 210.97395142 153.3
[M]- 210.97504858 153.3
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

No patent data available for this compound.