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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.965466 136.9
[M+Na]+ 249.947408 152.0
[M-H]- 225.950914 144.6
[M+NH4]+ 244.992013 159.6
[M+K]+ 265.921348 143.0
[M+H-H2O]+ 209.955450 137.5
[M+HCOO]- 271.956391 159.7
[M+CH3COO]- 285.972041 154.1
[M+Na-2H]- 247.932856 147.4
[M]+ 226.95764142 160.6
[M]- 226.95873858 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