CID 33789092

866472-46-0

Structural Information

Molecular Formula

C₁₀H₉FN₂O

SMILES

CC1=NN(C(=O)C1)C2=CC=CC=C2F

InChI

InChI=1S/C10H9FN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3

InChIKey

HPZVFVKXBQLABG-UHFFFAOYSA-N

Compound name

2-(2-fluorophenyl)-5-methyl-4H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 192.06989 Da
Monoisotopic Mass: 1.4
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]+	193.07717	141.4
[M+Na]+	215.05911	154.3
[M+NH4]+	210.10371	148.9
[M+K]+	231.03305	149.6
[M-H]-	191.06261	142.5
[M+Na-2H]-	213.04456	148.2
[M]+	192.06934	143.4
[M]-	192.07044	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe