CID 37818533

1053655-66-5

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=CN2C(=NC=N2)C=C1Br
InChI
InChI=1S/C6H4BrN3/c7-5-1-2-10-6(3-5)8-4-9-10/h1-4H
InChIKey
VGJYOOVSVQHZPL-UHFFFAOYSA-N
Compound name
7-bromo-[1,2,4]triazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

196.95886 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96614 134.2
[M+Na]+ 219.94808 139.3
[M+NH4]+ 214.99268 139.4
[M+K]+ 235.92202 140.1
[M-H]- 195.95158 133.9
[M+Na-2H]- 217.93353 138.7
[M]+ 196.95831 133.6
[M]- 196.95941 133.6
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