CID 67991692

5-fluoro-2-(1h-pyrazol-3-yl)pyridine

Structural Information

Molecular Formula
C8H6FN3
SMILES
C1=CC(=NC=C1F)C2=CC=NN2
InChI
InChI=1S/C8H6FN3/c9-6-1-2-7(10-5-6)8-3-4-11-12-8/h1-5H,(H,11,12)
InChIKey
ADBMBWBQQBJNNZ-UHFFFAOYSA-N
Compound name
5-fluoro-2-(1H-pyrazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

163.05458 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.061856 129.7
[M+Na]+ 186.043798 139.6
[M-H]- 162.047304 130.3
[M+NH4]+ 181.088403 147.4
[M+K]+ 202.017738 135.5
[M+H-H2O]+ 146.051840 120.6
[M+HCOO]- 208.052781 150.4
[M+CH3COO]- 222.068431 142.7
[M+Na-2H]- 184.029246 136.6
[M]+ 163.05403142 126.5
[M]- 163.05512858 126.5
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