CID 18526054

7-bromo-5-methoxy-1,3-benzoxazole

Structural Information

Molecular Formula

C₈H₆BrNO₂

SMILES

COC1=CC2=C(C(=C1)Br)OC=N2

InChI

InChI=1S/C8H6BrNO2/c1-11-5-2-6(9)8-7(3-5)10-4-12-8/h2-4H,1H3

InChIKey

UXGJFRVLTQFYMX-UHFFFAOYSA-N

Compound name

7-bromo-5-methoxy-1,3-benzoxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 226.95819 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]+	227.96547	139.5
[M+Na]+	249.94741	144.6
[M+NH4]+	244.99201	144.8
[M+K]+	265.92135	145.9
[M-H]-	225.95091	141.0
[M+Na-2H]-	247.93286	142.9
[M]+	226.95764	139.5
[M]-	226.95874	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe