CID 15956829

2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C16H12F3N3O
SMILES
COC1=CC=CC=C1C2=NN(C=C2)C3=C(C=CC=N3)C(F)(F)F
InChI
InChI=1S/C16H12F3N3O/c1-23-14-7-3-2-5-11(14)13-8-10-22(21-13)15-12(16(17,18)19)6-4-9-20-15/h2-10H,1H3
InChIKey
IXCRKPUWUHGTSZ-UHFFFAOYSA-N
Compound name
2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.09326 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10054 170.5
[M+Na]+ 342.08248 180.8
[M-H]- 318.08598 173.3
[M+NH4]+ 337.12708 182.4
[M+K]+ 358.05642 174.8
[M+H-H2O]+ 302.09052 157.8
[M+HCOO]- 364.09146 187.6
[M+CH3COO]- 378.10711 205.1
[M+Na-2H]- 340.06793 173.8
[M]+ 319.09271 168.8
[M]- 319.09381 168.8
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