CID 123642897

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

Structural Information

Molecular Formula
C9H6F3N3
SMILES
C1=CC(=NC=C1C(F)(F)F)C2=NC=CN2
InChI
InChI=1S/C9H6F3N3/c10-9(11,12)6-1-2-7(15-5-6)8-13-3-4-14-8/h1-5H,(H,13,14)
InChIKey
GXJLSXCHQSNMFH-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-2-yl)-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

213.05138 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe