CID 4962895

460313-68-2

Structural Information

Molecular Formula

C₅H₆ClNO₃

SMILES

C1COC(=O)N1C(=O)CCl

InChI

InChI=1S/C5H6ClNO3/c6-3-4(8)7-1-2-10-5(7)9/h1-3H2

InChIKey

MCQHZKRXGGXTBG-UHFFFAOYSA-N

Compound name

3-(2-chloroacetyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 163.00362 Da
Monoisotopic Mass: 0.3
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]+	164.01090	129.0
[M+Na]+	185.99284	137.9
[M-H]-	161.99634	131.8
[M+NH4]+	181.03744	149.5
[M+K]+	201.96678	137.2
[M+H-H2O]+	146.00088	124.2
[M+HCOO]-	208.00182	145.8
[M+CH3COO]-	222.01747	172.2
[M+Na-2H]-	183.97829	133.5
[M]+	163.00307	130.6
[M]-	163.00417	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe