CID 18934

Aminochlorthenoxazin

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O₂

SMILES

C1=CC2=C(C=C1N)C(=O)NC(O2)CCCl

InChI

InChI=1S/C10H11ClN2O2/c11-4-3-9-13-10(14)7-5-6(12)1-2-8(7)15-9/h1-2,5,9H,3-4,12H2,(H,13,14)

InChIKey

PCYLDXMXEPSXFW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1207
Patents: 226.0509 Da
Monoisotopic Mass: 1.4
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]+	227.05818	147.5
[M+Na]+	249.04012	156.5
[M-H]-	225.04362	149.4
[M+NH4]+	244.08472	164.1
[M+K]+	265.01406	152.1
[M+H-H2O]+	209.04816	141.7
[M+HCOO]-	271.04910	161.4
[M+CH3COO]-	285.06475	187.5
[M+Na-2H]-	247.02557	153.4
[M]+	226.05035	146.7
[M]-	226.05145	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe