CID 22622903

221311-16-6

Structural Information

Molecular Formula

C₉H₈BrNO₂

SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)Br

InChI

InChI=1S/C9H8BrNO2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H,11,12)

InChIKey

NUXLDNTZFXDNBA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8417
Patents: 240.97385 Da
Monoisotopic Mass: 2.0
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]+	241.98113	141.8
[M+Na]+	263.96307	146.0
[M+NH4]+	259.00767	146.7
[M+K]+	279.93701	146.2
[M-H]-	239.96657	143.1
[M+Na-2H]-	261.94852	143.9
[M]+	240.97330	141.6
[M]-	240.97440	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe