CID 2758985

288401-62-7

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1F)C2=CC=NO2)O

InChI

InChI=1S/C9H6FNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H

InChIKey

GMKVPJVBXXTBJG-UHFFFAOYSA-N

Compound name

4-fluoro-2-(1,2-oxazol-5-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 179.03825 Da
Monoisotopic Mass: 1.8
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]+	180.04553	131.5
[M+Na]+	202.02747	141.8
[M-H]-	178.03097	135.9
[M+NH4]+	197.07207	150.2
[M+K]+	218.00141	139.8
[M+H-H2O]+	162.03551	124.3
[M+HCOO]-	224.03645	154.1
[M+CH3COO]-	238.05210	175.9
[M+Na-2H]-	200.01292	138.1
[M]+	179.03770	131.5
[M]-	179.03880	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe