CID 42647299

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

Structural Information

Molecular Formula
C14H9F2N3
SMILES
C1=CC(=CC=C1C2=C(NN=C2)C3=CC(=NC=C3)F)F
InChI
InChI=1S/C14H9F2N3/c15-11-3-1-9(2-4-11)12-8-18-19-14(12)10-5-6-17-13(16)7-10/h1-8H,(H,18,19)
InChIKey
YJCHZVXSPFPKMX-UHFFFAOYSA-N
Compound name
2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.07645 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08373 154.1
[M+Na]+ 280.06567 164.6
[M-H]- 256.06917 156.8
[M+NH4]+ 275.11027 167.8
[M+K]+ 296.03961 157.5
[M+H-H2O]+ 240.07371 142.6
[M+HCOO]- 302.07465 172.9
[M+CH3COO]- 316.09030 165.5
[M+Na-2H]- 278.05112 157.9
[M]+ 257.07590 150.2
[M]- 257.07700 150.2
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

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