CID 14748841

2-bromo-5-fluoro-1,3-benzoxazole

Structural Information

Molecular Formula
C7H3BrFNO
SMILES
C1=CC2=C(C=C1F)N=C(O2)Br
InChI
InChI=1S/C7H3BrFNO/c8-7-10-5-3-4(9)1-2-6(5)11-7/h1-3H
InChIKey
GDLXFIMWABPBFD-UHFFFAOYSA-N
Compound name
2-bromo-5-fluoro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.9382 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.94548 138.1
[M+Na]+ 237.92742 142.9
[M+NH4]+ 232.97202 143.3
[M+K]+ 253.90136 143.9
[M-H]- 213.93092 138.7
[M+Na-2H]- 235.91287 141.3
[M]+ 214.93765 137.8
[M]- 214.93875 137.8
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

No patent data available for this compound.