CID 43531682

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

Structural Information

Molecular Formula
C9H6F3N3
SMILES
C1=CN(N=C1)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C9H6F3N3/c10-9(11,12)7-2-3-8(13-6-7)15-5-1-4-14-15/h1-6H
InChIKey
CSMJMKMKDZKFQA-UHFFFAOYSA-N
Compound name
2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

213.05138 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05866 145.0
[M+Na]+ 236.04060 155.3
[M+NH4]+ 231.08520 150.3
[M+K]+ 252.01454 151.6
[M-H]- 212.04410 142.3
[M+Na-2H]- 234.02605 151.3
[M]+ 213.05083 145.4
[M]- 213.05193 145.4
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

patents stripe