CID 92350

Myclozolin

Structural Information

Molecular Formula

C₁₂H₁₁Cl₂NO₄

SMILES

CC1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)COC

InChI

InChI=1S/C12H11Cl2NO4/c1-12(6-18-2)10(16)15(11(17)19-12)9-4-7(13)3-8(14)5-9/h3-5H,6H2,1-2H3

InChIKey

FTCOKXNKPOUEFH-UHFFFAOYSA-N

Compound name

3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12152
Patents: 303.0065 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]+	304.013776	158.8
[M+Na]+	325.995718	171.0
[M-H]-	301.999224	165.3
[M+NH4]+	321.040323	176.9
[M+K]+	341.969658	167.2
[M+H-H2O]+	286.003760	154.3
[M+HCOO]-	348.004701	171.0
[M+CH3COO]-	362.020351	199.5
[M+Na-2H]-	323.981166	161.2
[M]+	303.00595142	165.8
[M]-	303.00704858	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe