CID 2804882

4-fluoro-2-(1-methyl-1h-pyrazol-5-yl)phenol

Structural Information

Molecular Formula

C₁₀H₉FN₂O

SMILES

CN1C(=CC=N1)C2=C(C=CC(=C2)F)O

InChI

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

InChIKey

DLZHGRRGHBXHCO-UHFFFAOYSA-N

Compound name

4-fluoro-2-(2-methylpyrazol-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 192.06989 Da
Monoisotopic Mass: 1.6
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	140.6
[M+Na]+	215.05911	153.9
[M+NH4]+	210.10371	148.1
[M+K]+	231.03305	149.4
[M-H]-	191.06261	141.7
[M+Na-2H]-	213.04456	147.8
[M]+	192.06934	142.6
[M]-	192.07044	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe