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

0
Patents

229.96034 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96762 135.6
[M+Na]+ 252.94956 151.5
[M-H]- 228.95306 138.8
[M+NH4]+ 247.99416 156.4
[M+K]+ 268.92350 139.6
[M+H-H2O]+ 212.95760 133.8
[M+HCOO]- 274.95854 156.4
[M+CH3COO]- 288.97419 151.3
[M+Na-2H]- 250.93501 144.5
[M]+ 229.95979 154.1
[M]- 229.96089 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

No patent data available for this compound.