CID 102555154

6-(3-chlorophenyl)morpholin-3-one

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₂

SMILES

C1C(OCC(=O)N1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C10H10ClNO2/c11-8-3-1-2-7(4-8)9-5-12-10(13)6-14-9/h1-4,9H,5-6H2,(H,12,13)

InChIKey

CPTVUNGJWARTTL-UHFFFAOYSA-N

Compound name

6-(3-chlorophenyl)morpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.04001 Da
Monoisotopic Mass: 1.4
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]+	212.04729	143.0
[M+Na]+	234.02923	150.7
[M-H]-	210.03273	147.2
[M+NH4]+	229.07383	159.0
[M+K]+	250.00317	147.0
[M+H-H2O]+	194.03727	136.4
[M+HCOO]-	256.03821	156.6
[M+CH3COO]-	270.05386	180.4
[M+Na-2H]-	232.01468	148.6
[M]+	211.03946	140.6
[M]-	211.04056	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe