CID 15056663

Bixlozone

Structural Information

Molecular Formula

C₁₂H₁₃Cl₂NO₂

SMILES

CC1(CON(C1=O)CC2=C(C=C(C=C2)Cl)Cl)C

InChI

InChI=1S/C12H13Cl2NO2/c1-12(2)7-17-15(11(12)16)6-8-3-4-9(13)5-10(8)14/h3-5H,6-7H2,1-2H3

InChIKey

FHUKASKVKWSLCY-UHFFFAOYSA-N

Compound name

2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3619
Patents: 273.03235 Da
Monoisotopic Mass: 3.2
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]+	274.03963	156.0
[M+Na]+	296.02157	167.2
[M-H]-	272.02507	161.9
[M+NH4]+	291.06617	175.2
[M+K]+	311.99551	162.7
[M+H-H2O]+	256.02961	151.0
[M+HCOO]-	318.03055	167.4
[M+CH3COO]-	332.04620	194.9
[M+Na-2H]-	294.00702	158.5
[M]+	273.03180	160.2
[M]-	273.03290	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe