CID 12785992

54754-60-8

Structural Information

Molecular Formula

C₈H₃Br₂NO₃

SMILES

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

InChI

InChI=1S/C8H3Br2NO3/c9-3-1-4-6(5(10)2-3)11-8(13)14-7(4)12/h1-2H,(H,11,13)

InChIKey

ISBVTKNCSLRDBE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 318.84796 Da
Monoisotopic Mass: 2.4
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]+	319.85524	136.1
[M+Na]+	341.83718	149.1
[M-H]-	317.84068	142.8
[M+NH4]+	336.88178	153.2
[M+K]+	357.81112	134.8
[M+H-H2O]+	301.84522	144.3
[M+HCOO]-	363.84616	150.7
[M+CH3COO]-	377.86181	202.9
[M+Na-2H]-	339.82263	145.6
[M]+	318.84741	171.7
[M]-	318.84851	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe