CID 206118

42902-30-7

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃

SMILES

C1C(OC(=O)N1C2=CC(=CC=C2)Cl)CO

InChI

InChI=1S/C10H10ClNO3/c11-7-2-1-3-8(4-7)12-5-9(6-13)15-10(12)14/h1-4,9,13H,5-6H2

InChIKey

NWTBJKLAXANGHG-UHFFFAOYSA-N

Compound name

3-(3-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.03493 Da
Monoisotopic Mass: 1.5
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]+	228.042206	146.1
[M+Na]+	250.024148	155.6
[M-H]-	226.027654	151.1
[M+NH4]+	245.068753	163.7
[M+K]+	265.998088	152.3
[M+H-H2O]+	210.032190	140.2
[M+HCOO]-	272.033131	162.1
[M+CH3COO]-	286.048781	183.2
[M+Na-2H]-	248.009596	149.5
[M]+	227.03438142	147.6
[M]-	227.03547858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.