CID 130048611

5-bromo-7-fluoro-1,2-benzoxazole

Structural Information

Molecular Formula
C7H3BrFNO
SMILES
C1=C(C=C(C2=C1C=NO2)F)Br
InChI
InChI=1S/C7H3BrFNO/c8-5-1-4-3-10-11-7(4)6(9)2-5/h1-3H
InChIKey
LFNVUQBTKJUYHQ-UHFFFAOYSA-N
Compound name
5-bromo-7-fluoro-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.9382 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.945476 133.2
[M+Na]+ 237.927418 148.9
[M-H]- 213.930924 139.7
[M+NH4]+ 232.972023 156.3
[M+K]+ 253.901358 139.2
[M+H-H2O]+ 197.935460 133.3
[M+HCOO]- 259.936401 155.2
[M+CH3COO]- 273.952051 150.4
[M+Na-2H]- 235.912866 143.5
[M]+ 214.93765142 154.2
[M]- 214.93874858 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

No patent data available for this compound.