CID 16217813

640292-06-4

Structural Information

Molecular Formula

C₁₀H₆FNO₂

SMILES

C1=CC(=CC=C1C2=CC(=NO2)C=O)F

InChI

InChI=1S/C10H6FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)12-14-10/h1-6H

InChIKey

ZCVSOFHLCCVOJD-UHFFFAOYSA-N

Compound name

5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 191.03825 Da
Monoisotopic Mass: 2.5
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]+	192.04553	138.8
[M+Na]+	214.02747	152.5
[M+NH4]+	209.07207	146.5
[M+K]+	230.00141	147.9
[M-H]-	190.03097	141.7
[M+Na-2H]-	212.01292	146.2
[M]+	191.03770	141.5
[M]-	191.03880	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe