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	137.6
[M+Na]+	215.05911	148.0
[M-H]-	191.06261	141.1
[M+NH4]+	210.10371	156.6
[M+K]+	231.03305	144.7
[M+H-H2O]+	175.06715	129.2
[M+HCOO]-	237.06809	159.4
[M+CH3COO]-	251.08374	182.9
[M+Na-2H]-	213.04456	141.5
[M]+	192.06934	136.5
[M]-	192.07044	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe