CID 137949279

2137899-07-9

Structural Information

Molecular Formula
C7H4F3N3O
SMILES
C1=C(C=C2N=CNN2C1=O)C(F)(F)F
InChI
InChI=1S/C7H4F3N3O/c8-7(9,10)4-1-5-11-3-12-13(5)6(14)2-4/h1-3H,(H,11,12)
InChIKey
JMNNNWDCCJOSFY-UHFFFAOYSA-N
Compound name
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

203.03064 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03792 135.4
[M+Na]+ 226.01986 148.4
[M-H]- 202.02336 132.1
[M+NH4]+ 221.06446 153.1
[M+K]+ 241.99380 143.8
[M+H-H2O]+ 186.02790 126.2
[M+HCOO]- 248.02884 152.8
[M+CH3COO]- 262.04449 179.5
[M+Na-2H]- 224.00531 143.1
[M]+ 203.03009 132.9
[M]- 203.03119 132.9
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.