CID 91210680

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

Structural Information

Molecular Formula
C8H6FN3
SMILES
C1=CC(=NC=C1C2=CC=NN2)F
InChI
InChI=1S/C8H6FN3/c9-8-2-1-6(5-10-8)7-3-4-11-12-7/h1-5H,(H,11,12)
InChIKey
WCPFPPDWJYSTOU-UHFFFAOYSA-N
Compound name
2-fluoro-5-(1H-pyrazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

163.05458 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.06186 129.7
[M+Na]+ 186.04380 139.6
[M-H]- 162.04730 130.3
[M+NH4]+ 181.08840 147.4
[M+K]+ 202.01774 135.5
[M+H-H2O]+ 146.05184 120.6
[M+HCOO]- 208.05278 150.4
[M+CH3COO]- 222.06843 142.7
[M+Na-2H]- 184.02925 136.6
[M]+ 163.05403 126.5
[M]- 163.05513 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