CID 16728283

869496-60-6

Structural Information

Molecular Formula

C₁₀H₆ClNO₂

SMILES

C1=CC(=CC(=C1)Cl)C2=NOC(=C2)C=O

InChI

InChI=1S/C10H6ClNO2/c11-8-3-1-2-7(4-8)10-5-9(6-13)14-12-10/h1-6H

InChIKey

TZCHLLPQCIJQJS-UHFFFAOYSA-N

Compound name

3-(3-chlorophenyl)-1,2-oxazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 207.00871 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]+	208.01599	139.4
[M+Na]+	229.99793	155.0
[M+NH4]+	225.04253	148.4
[M+K]+	245.97187	149.6
[M-H]-	206.00143	144.1
[M+Na-2H]-	227.98338	148.0
[M]+	207.00816	143.3
[M]-	207.00926	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe