CID 122445413

1980023-94-6

Structural Information

Molecular Formula

C₁₀H₈FN₃O

SMILES

CC(=O)C1=CN=C(C=C1)N2C=C(C=N2)F

InChI

InChI=1S/C10H8FN3O/c1-7(15)8-2-3-10(12-4-8)14-6-9(11)5-13-14/h2-6H,1H3

InChIKey

RZSBWJWWGZZASY-UHFFFAOYSA-N

Compound name

1-[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 205.06514 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.07242	143.3
[M+Na]+	228.05436	156.2
[M+NH4]+	223.09896	149.9
[M+K]+	244.02830	152.2
[M-H]-	204.05786	143.5
[M+Na-2H]-	226.03981	150.5
[M]+	205.06459	145.0
[M]-	205.06569	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe