CID 18675343

2-bromo-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula

C₈H₆BrNO₂

SMILES

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

InChI

InChI=1S/C8H6BrNO2/c9-7-8(11)10-5-3-1-2-4-6(5)12-7/h1-4,7H,(H,10,11)

InChIKey

ZQJFOGYRODBABR-UHFFFAOYSA-N

Compound name

2-bromo-4H-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 226.95819 Da
Monoisotopic Mass: 1.8
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]+	227.96547	137.6
[M+Na]+	249.94741	141.7
[M+NH4]+	244.99201	142.7
[M+K]+	265.92135	142.0
[M-H]-	225.95091	139.0
[M+Na-2H]-	247.93286	140.2
[M]+	226.95764	137.4
[M]-	226.95874	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe