CID 2822970

19959-90-1

Structural Information

Molecular Formula
C9H6F3N3
SMILES
C1=CN=CC=C1C2=NNC(=C2)C(F)(F)F
InChI
InChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h1-5H,(H,14,15)
InChIKey
NBMPNCPZAYFDRU-UHFFFAOYSA-N
Compound name
4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
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 140.5
[M+Na]+ 236.04060 150.4
[M-H]- 212.04410 138.5
[M+NH4]+ 231.08520 156.1
[M+K]+ 252.01454 145.6
[M+H-H2O]+ 196.04864 129.8
[M+HCOO]- 258.04958 157.0
[M+CH3COO]- 272.06523 181.6
[M+Na-2H]- 234.02605 146.3
[M]+ 213.05083 134.7
[M]- 213.05193 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe