CID 129969500

3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-ol

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

CC1=C(C(=NO1)C2=CC=C(C=C2)F)O

InChI

InChI=1S/C10H8FNO2/c1-6-10(13)9(12-14-6)7-2-4-8(11)5-3-7/h2-5,13H,1H3

InChIKey

XJUXLUNTHAJJMH-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.05391 Da
Monoisotopic Mass: 2.2
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]+	194.061186	136.1
[M+Na]+	216.043128	147.0
[M-H]-	192.046634	140.8
[M+NH4]+	211.087733	154.7
[M+K]+	232.017068	144.8
[M+H-H2O]+	176.051170	129.1
[M+HCOO]-	238.052111	158.4
[M+CH3COO]-	252.067761	180.1
[M+Na-2H]-	214.028576	141.5
[M]+	193.05336142	136.9
[M]-	193.05445858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.