CID 16217816

763109-09-7

Structural Information

Molecular Formula

C₁₀H₆ClNO₂

SMILES

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

InChI

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

InChIKey

TUGDVOPMQBYENX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 207.00871 Da
Monoisotopic Mass: 3.0
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