CID 68390875

2,6-dibromo-[1,2,4]triazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C6H3Br2N3
SMILES
C1=CC2=NC(=NN2C=C1Br)Br
InChI
InChI=1S/C6H3Br2N3/c7-4-1-2-5-9-6(8)10-11(5)3-4/h1-3H
InChIKey
DHPMUKGOPWYVSU-UHFFFAOYSA-N
Compound name
2,6-dibromo-[1,2,4]triazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

274.8694 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.876676 128.1
[M+Na]+ 297.858618 142.5
[M-H]- 273.862124 133.7
[M+NH4]+ 292.903223 147.9
[M+K]+ 313.832558 128.1
[M+H-H2O]+ 257.866660 136.7
[M+HCOO]- 319.867601 144.8
[M+CH3COO]- 333.883251 143.9
[M+Na-2H]- 295.844066 138.7
[M]+ 274.86885142 164.2
[M]- 274.86994858 164.2
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