CID 61311412

1-(5-fluoropyridin-2-yl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C8H7FN4
SMILES
C1=CC(=NC=C1F)N2C=CC(=N2)N
InChI
InChI=1S/C8H7FN4/c9-6-1-2-8(11-5-6)13-4-3-7(10)12-13/h1-5H,(H2,10,12)
InChIKey
JWRWJLNCJBHKTJ-UHFFFAOYSA-N
Compound name
1-(5-fluoro-2-pyridinyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

178.06548 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.072756 133.6
[M+Na]+ 201.054698 143.9
[M-H]- 177.058204 135.4
[M+NH4]+ 196.099303 151.0
[M+K]+ 217.028638 140.2
[M+H-H2O]+ 161.062740 124.1
[M+HCOO]- 223.063681 156.2
[M+CH3COO]- 237.079331 146.8
[M+Na-2H]- 199.040146 139.7
[M]+ 178.06493142 131.0
[M]- 178.06602858 131.0
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