CID 67774274

2,7-dibromo-[1,2,4]triazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C6H3Br2N3
SMILES
C1=CN2C(=NC(=N2)Br)C=C1Br
InChI
InChI=1S/C6H3Br2N3/c7-4-1-2-11-5(3-4)9-6(8)10-11/h1-3H
InChIKey
NCONOGCFMPPUSQ-UHFFFAOYSA-N
Compound name
2,7-dibromo-[1,2,4]triazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

274.8694 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.87668 128.1
[M+Na]+ 297.85862 142.5
[M-H]- 273.86212 133.7
[M+NH4]+ 292.90322 147.9
[M+K]+ 313.83256 128.1
[M+H-H2O]+ 257.86666 136.7
[M+HCOO]- 319.86760 144.8
[M+CH3COO]- 333.88325 143.9
[M+Na-2H]- 295.84407 138.7
[M]+ 274.86885 164.2
[M]- 274.86995 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