CID 168450428

2387072-28-6

Structural Information

Molecular Formula
C6H4BrFN4
SMILES
C1=C(C(=CN2C1=NC(=N2)N)Br)F
InChI
InChI=1S/C6H4BrFN4/c7-3-2-12-5(1-4(3)8)10-6(9)11-12/h1-2H,(H2,9,11)
InChIKey
WRFZHHOVCBTHCD-UHFFFAOYSA-N
Compound name
6-bromo-7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.96034 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.967616 135.6
[M+Na]+ 252.949558 151.5
[M-H]- 228.953064 138.8
[M+NH4]+ 247.994163 156.4
[M+K]+ 268.923498 139.6
[M+H-H2O]+ 212.957600 133.8
[M+HCOO]- 274.958541 156.4
[M+CH3COO]- 288.974191 151.3
[M+Na-2H]- 250.935006 144.5
[M]+ 229.95979142 154.1
[M]- 229.96088858 154.1
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