CID 7172305

5-phenylisoxazole-3-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

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

InChI

InChI=1S/C10H7NO2/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8/h1-7H

InChIKey

QRHAQXZGSWFBOK-UHFFFAOYSA-N

Compound name

5-phenyl-1,2-oxazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 173.04768 Da
Monoisotopic Mass: 2.4
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]+	174.05496	133.7
[M+Na]+	196.03690	148.2
[M+NH4]+	191.08150	142.4
[M+K]+	212.01084	143.4
[M-H]-	172.04040	138.3
[M+Na-2H]-	194.02235	142.5
[M]+	173.04713	137.1
[M]-	173.04823	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe