CID 11830733

711-85-3

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₂

SMILES

C1C(OC(=O)N1C2=CC=CC=C2)CCl

InChI

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

InChIKey

KARLWXPEKSFFJC-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 211.04001 Da
Monoisotopic Mass: 2.1
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	143.1
[M+Na]+	234.02923	152.3
[M-H]-	210.03273	149.0
[M+NH4]+	229.07383	161.9
[M+K]+	250.00317	149.3
[M+H-H2O]+	194.03727	136.8
[M+HCOO]-	256.03821	160.4
[M+CH3COO]-	270.05386	182.5
[M+Na-2H]-	232.01468	147.5
[M]+	211.03946	144.7
[M]-	211.04056	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe