CID 117869214

6-bromo-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C6H3BrFN3
SMILES
C1=C(C2=NC=NN2C=C1Br)F
InChI
InChI=1S/C6H3BrFN3/c7-4-1-5(8)6-9-3-10-11(6)2-4/h1-3H
InChIKey
VOOXQCBXZCCSMF-UHFFFAOYSA-N
Compound name
6-bromo-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

214.94943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.95671 131.4
[M+Na]+ 237.93865 147.5
[M-H]- 213.94215 134.8
[M+NH4]+ 232.98325 153.2
[M+K]+ 253.91259 136.4
[M+H-H2O]+ 197.94669 130.2
[M+HCOO]- 259.94763 152.0
[M+CH3COO]- 273.96328 147.7
[M+Na-2H]- 235.92410 141.6
[M]+ 214.94888 151.2
[M]- 214.94998 151.2
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