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

27
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 140.1
[M+Na]+ 236.04060 150.4
[M-H]- 212.04410 139.5
[M+NH4]+ 231.08520 156.4
[M+K]+ 252.01454 146.5
[M+H-H2O]+ 196.04864 129.1
[M+HCOO]- 258.04958 158.1
[M+CH3COO]- 272.06523 184.2
[M+Na-2H]- 234.02605 146.3
[M]+ 213.05083 136.2
[M]- 213.05193 136.2
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