CID 83669491

7-bromo-1,2-benzoxazol-5-ol

Structural Information

Molecular Formula

C₇H₄BrNO₂

SMILES

C1=C(C=C(C2=C1C=NO2)Br)O

InChI

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

InChIKey

DEYDZGZTDGOPEF-UHFFFAOYSA-N

Compound name

7-bromo-1,2-benzoxazol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.94254 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]+	213.94982	135.9
[M+Na]+	235.93176	140.7
[M+NH4]+	230.97636	141.1
[M+K]+	251.90570	142.5
[M-H]-	211.93526	137.1
[M+Na-2H]-	233.91721	139.1
[M]+	212.94199	135.8
[M]-	212.94309	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.