CID 71720994

7-bromobenzo[d]isoxazol-3(2h)-one

Structural Information

Molecular Formula

C₇H₄BrNO₂

SMILES

C1=CC2=C(C(=C1)Br)ONC2=O

InChI

InChI=1S/C7H4BrNO2/c8-5-3-1-2-4-6(5)11-9-7(4)10/h1-3H,(H,9,10)

InChIKey

OSNRZJKTIPYAMH-UHFFFAOYSA-N

Compound name

7-bromo-1,2-benzoxazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 212.94254 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]+	213.94982	135.2
[M+Na]+	235.93176	140.0
[M+NH4]+	230.97636	140.1
[M+K]+	251.90570	141.8
[M-H]-	211.93526	136.1
[M+Na-2H]-	233.91721	138.3
[M]+	212.94199	134.9
[M]-	212.94309	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe