CID 129947424

8-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C7H3BrF3N3
SMILES
C1=CN2C(=NC(=N2)C(F)(F)F)C(=C1)Br
InChI
InChI=1S/C7H3BrF3N3/c8-4-2-1-3-14-5(4)12-6(13-14)7(9,10)11/h1-3H
InChIKey
IMTKYKFCFXZUET-UHFFFAOYSA-N
Compound name
8-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.94623 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.95351 146.1
[M+Na]+ 287.93545 162.2
[M-H]- 263.93895 147.1
[M+NH4]+ 282.98005 165.9
[M+K]+ 303.90939 150.3
[M+H-H2O]+ 247.94349 143.4
[M+HCOO]- 309.94443 162.7
[M+CH3COO]- 323.96008 190.8
[M+Na-2H]- 285.92090 154.8
[M]+ 264.94568 163.4
[M]- 264.94678 163.4
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.