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

1
Patents

226.95819 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96547 136.9
[M+Na]+ 249.94741 152.0
[M-H]- 225.95091 144.6
[M+NH4]+ 244.99201 159.6
[M+K]+ 265.92135 143.0
[M+H-H2O]+ 209.95545 137.5
[M+HCOO]- 271.95639 159.7
[M+CH3COO]- 285.97204 154.1
[M+Na-2H]- 247.93286 147.4
[M]+ 226.95764 160.6
[M]- 226.95874 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe