CID 162431594

2742652-47-5

Structural Information

Molecular Formula
C7H6BrN3
SMILES
C1=CN2C(=NC=N2)C=C1CBr
InChI
InChI=1S/C7H6BrN3/c8-4-6-1-2-11-7(3-6)9-5-10-11/h1-3,5H,4H2
InChIKey
NHGIAYQVEXFHCR-UHFFFAOYSA-N
Compound name
7-(bromomethyl)-[1,2,4]triazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

210.9745 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98178 132.5
[M+Na]+ 233.96372 147.4
[M-H]- 209.96722 136.7
[M+NH4]+ 229.00832 154.3
[M+K]+ 249.93766 136.6
[M+H-H2O]+ 193.97176 131.9
[M+HCOO]- 255.97270 153.8
[M+CH3COO]- 269.98835 148.7
[M+Na-2H]- 231.94917 143.6
[M]+ 210.97395 153.3
[M]- 210.97505 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

patents stripe