CID 45598119

5-(1h-pyrazol-5-yl)-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C9H6F3N3
SMILES
C1=CC(=NC=C1C2=CC=NN2)C(F)(F)F
InChI
InChI=1S/C9H6F3N3/c10-9(11,12)8-2-1-6(5-13-8)7-3-4-14-15-7/h1-5H,(H,14,15)
InChIKey
KJRKHVPNKQRJPQ-UHFFFAOYSA-N
Compound name
5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.05138 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05866 144.8
[M+Na]+ 236.04060 154.6
[M+NH4]+ 231.08520 149.8
[M+K]+ 252.01454 151.2
[M-H]- 212.04410 141.6
[M+Na-2H]- 234.02605 150.6
[M]+ 213.05083 144.9
[M]- 213.05193 144.9
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.