CID 62306

Benoxacor

Structural Information

Molecular Formula

C₁₁H₁₁Cl₂NO₂

SMILES

CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl

InChI

InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3

InChIKey

PFJJMJDEVDLPNE-UHFFFAOYSA-N

Compound name

2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 29
References: 18099
Patents: 259.0167 Da
Monoisotopic Mass: 2.8
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]+	260.023976	151.2
[M+Na]+	282.005918	159.9
[M-H]-	258.009424	154.0
[M+NH4]+	277.050523	167.8
[M+K]+	297.979858	156.4
[M+H-H2O]+	242.013960	145.9
[M+HCOO]-	304.014901	158.9
[M+CH3COO]-	318.030551	193.1
[M+Na-2H]-	279.991366	155.4
[M]+	259.01615142	153.7
[M]-	259.01724858	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe