CID 54778

Clomazone

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

CC1(CON(C1=O)CC2=CC=CC=C2Cl)C

InChI

InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3

InChIKey

KIEDNEWSYUYDSN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 115
References: 33123
Patents: 239.0713 Da
Monoisotopic Mass: 2.5
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]+	240.078576	149.9
[M+Na]+	262.060518	160.0
[M-H]-	238.064024	156.3
[M+NH4]+	257.105123	169.9
[M+K]+	278.034458	156.9
[M+H-H2O]+	222.068560	144.3
[M+HCOO]-	284.069501	166.6
[M+CH3COO]-	298.085151	189.2
[M+Na-2H]-	260.045966	153.9
[M]+	239.07075142	152.8
[M]-	239.07184858	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe