CID 8602

Chlorthenoxazine

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₂

SMILES

C1=CC=C2C(=C1)C(=O)NC(O2)CCCl

InChI

InChI=1S/C10H10ClNO2/c11-6-5-9-12-10(13)7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2,(H,12,13)

InChIKey

YEKMWXFHPZBZLR-UHFFFAOYSA-N

Compound name

2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 1359
Patents: 211.04001 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]+	212.04729	141.9
[M+Na]+	234.02923	150.8
[M-H]-	210.03273	144.0
[M+NH4]+	229.07383	159.4
[M+K]+	250.00317	146.9
[M+H-H2O]+	194.03727	136.1
[M+HCOO]-	256.03821	155.4
[M+CH3COO]-	270.05386	181.8
[M+Na-2H]-	232.01468	149.3
[M]+	211.03946	142.3
[M]-	211.04056	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe