CID 125483508

1936453-64-3

Structural Information

Molecular Formula
C7H3BrFNO2
SMILES
C1=CC(=C(C2=C1NC(=O)O2)F)Br
InChI
InChI=1S/C7H3BrFNO2/c8-3-1-2-4-6(5(3)9)12-7(11)10-4/h1-2H,(H,10,11)
InChIKey
JJIGTBBVWMQRSW-UHFFFAOYSA-N
Compound name
6-bromo-7-fluoro-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

230.93312 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.94040 141.7
[M+Na]+ 253.92234 146.0
[M+NH4]+ 248.96694 145.9
[M+K]+ 269.89628 147.7
[M-H]- 229.92584 141.3
[M+Na-2H]- 251.90779 143.6
[M]+ 230.93257 141.0
[M]- 230.93367 141.0
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