CID 90815

5-chloromethyl-2-oxazolidinone

Structural Information

Molecular Formula

C₄H₆ClNO₂

SMILES

C1C(OC(=O)N1)CCl

InChI

InChI=1S/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)

InChIKey

FNOZCEQRXKPZEZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 475
Patents: 135.00871 Da
Monoisotopic Mass: 0.4
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]+	136.01599	122.4
[M+Na]+	157.99793	133.3
[M+NH4]+	153.04253	130.5
[M+K]+	173.97187	130.2
[M-H]-	134.00143	123.3
[M+Na-2H]-	155.98338	126.0
[M]+	135.00816	124.2
[M]-	135.00926	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe