CID 18174947

14723-58-1

Structural Information

Molecular Formula

C₉H₆ClNO₂

SMILES

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

InChI

InChI=1S/C9H6ClNO2/c10-7-3-1-6(2-4-7)8-5-9(12)11-13-8/h1-5H,(H,11,12)

InChIKey

DLYXFWMNCVTAMQ-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-1,2-oxazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 23
Patents: 195.00871 Da
Monoisotopic Mass: 2.0
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]+	196.01599	135.8
[M+Na]+	217.99793	151.1
[M+NH4]+	213.04253	144.5
[M+K]+	233.97187	146.1
[M-H]-	194.00143	140.0
[M+Na-2H]-	215.98338	144.0
[M]+	195.00816	139.5
[M]-	195.00926	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe