CID 165470661

2-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol

Structural Information

Molecular Formula
C8H6F3N3O
SMILES
CC1=NC2=CC(=CC(=O)N2N1)C(F)(F)F
InChI
InChI=1S/C8H6F3N3O/c1-4-12-6-2-5(8(9,10)11)3-7(15)14(6)13-4/h2-3H,1H3,(H,12,13)
InChIKey
XCKYQOQQGSXKEB-UHFFFAOYSA-N
Compound name
2-methyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0463 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.05358 140.4
[M+Na]+ 240.03552 153.9
[M-H]- 216.03902 137.3
[M+NH4]+ 235.08012 157.9
[M+K]+ 256.00946 149.0
[M+H-H2O]+ 200.04356 131.3
[M+HCOO]- 262.04450 157.5
[M+CH3COO]- 276.06015 183.7
[M+Na-2H]- 238.02097 146.8
[M]+ 217.04575 138.6
[M]- 217.04685 138.6
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.