CID 132141153

F215

Structural Information

Molecular Formula

C₁₅H₁₈ClNO₃

SMILES

C1COC(=O)N1C(=O)CCCCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H18ClNO3/c16-13-7-4-6-12(11-13)5-2-1-3-8-14(18)17-9-10-20-15(17)19/h4,6-7,11H,1-3,5,8-10H2

InChIKey

XNQIFNVZSXXYRQ-UHFFFAOYSA-N

Compound name

3-[6-(3-chlorophenyl)hexanoyl]-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 295.09753 Da
Monoisotopic Mass: 3.6
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]+	296.10481	168.6
[M+Na]+	318.08675	175.5
[M-H]-	294.09025	173.9
[M+NH4]+	313.13135	183.8
[M+K]+	334.06069	171.8
[M+H-H2O]+	278.09479	161.4
[M+HCOO]-	340.09573	183.6
[M+CH3COO]-	354.11138	198.9
[M+Na-2H]-	316.07220	169.2
[M]+	295.09698	172.0
[M]-	295.09808	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe