CID 206119

42902-33-0

Structural Information

Molecular Formula

C₁₀H₉Cl₂NO₃

SMILES

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

InChI

InChI=1S/C10H9Cl2NO3/c11-8-2-1-6(3-9(8)12)13-4-7(5-14)16-10(13)15/h1-3,7,14H,4-5H2

InChIKey

JJPJFEVYXGRWQQ-UHFFFAOYSA-N

Compound name

3-(3,4-dichlorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.99594 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]+	262.003216	152.7
[M+Na]+	283.985158	163.3
[M-H]-	259.988664	157.2
[M+NH4]+	279.029763	169.6
[M+K]+	299.959098	158.8
[M+H-H2O]+	243.993200	147.5
[M+HCOO]-	305.994141	163.4
[M+CH3COO]-	320.009791	189.1
[M+Na-2H]-	281.970606	154.5
[M]+	260.99539142	155.6
[M]-	260.99648858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.