CID 105469337

3-bromo-6-fluoro-1,2-benzoxazole

Structural Information

Molecular Formula
C7H3BrFNO
SMILES
C1=CC2=C(C=C1F)ON=C2Br
InChI
InChI=1S/C7H3BrFNO/c8-7-5-2-1-4(9)3-6(5)11-10-7/h1-3H
InChIKey
GVNWURFIAZOGRY-UHFFFAOYSA-N
Compound name
3-bromo-6-fluoro-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

214.9382 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.94548 133.2
[M+Na]+ 237.92742 148.9
[M-H]- 213.93092 139.7
[M+NH4]+ 232.97202 156.3
[M+K]+ 253.90136 139.2
[M+H-H2O]+ 197.93546 133.3
[M+HCOO]- 259.93640 155.2
[M+CH3COO]- 273.95205 150.4
[M+Na-2H]- 235.91287 143.5
[M]+ 214.93765 154.2
[M]- 214.93875 154.2
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