CID 117275811

6-bromo-(1,2,4)triazolo(1,5-a)pyridin-8-ol

Structural Information

Molecular Formula
C6H4BrN3O
SMILES
C1=C(C2=NC=NN2C=C1Br)O
InChI
InChI=1S/C6H4BrN3O/c7-4-1-5(11)6-8-3-9-10(6)2-4/h1-3,11H
InChIKey
OKXQGEZKVBYPJU-UHFFFAOYSA-N
Compound name
6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.95377 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.96105 131.5
[M+Na]+ 235.94299 147.0
[M-H]- 211.94649 134.9
[M+NH4]+ 230.98759 152.7
[M+K]+ 251.91693 135.9
[M+H-H2O]+ 195.95103 131.3
[M+HCOO]- 257.95197 151.8
[M+CH3COO]- 271.96762 147.6
[M+Na-2H]- 233.92844 141.9
[M]+ 212.95322 151.9
[M]- 212.95432 151.9
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.