CID 78413

4693-00-9

Structural Information

Molecular Formula

C₈H₃Cl₂NO₃

SMILES

C1=C(C=C(C2=C1C(=O)OC(=O)N2)Cl)Cl

InChI

InChI=1S/C8H3Cl2NO3/c9-3-1-4-6(5(10)2-3)11-8(13)14-7(4)12/h1-2H,(H,11,13)

InChIKey

VOCGTJXVKKCXJH-UHFFFAOYSA-N

Compound name

6,8-dichloro-1H-3,1-benzoxazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 230.949 Da
Monoisotopic Mass: 2.3
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]+	231.95628	137.2
[M+Na]+	253.93822	151.2
[M-H]-	229.94172	140.5
[M+NH4]+	248.98282	155.0
[M+K]+	269.91216	146.4
[M+H-H2O]+	213.94626	132.9
[M+HCOO]-	275.94720	149.5
[M+CH3COO]-	289.96285	151.4
[M+Na-2H]-	251.92367	145.5
[M]+	230.94845	142.4
[M]-	230.94955	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe