CID 12106168

4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridine

Structural Information

Molecular Formula
C14H10FN3
SMILES
C1=CC(=CC=C1C2=C(C=NN2)C3=CC=NC=C3)F
InChI
InChI=1S/C14H10FN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)
InChIKey
BILJSHVAAVZERY-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1412
Patents

239.08588 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.093156 151.0
[M+Na]+ 262.075098 160.5
[M-H]- 238.078604 154.7
[M+NH4]+ 257.119703 165.3
[M+K]+ 278.049038 154.0
[M+H-H2O]+ 222.083140 140.4
[M+HCOO]- 284.084081 171.0
[M+CH3COO]- 298.099731 162.7
[M+Na-2H]- 260.060546 156.3
[M]+ 239.08533142 147.8
[M]- 239.08642858 147.8
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