CID 83234397

6-bromo-5-fluoro-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula
C8H4BrFO2
SMILES
C1C(=O)C2=CC(=C(C=C2O1)Br)F
InChI
InChI=1S/C8H4BrFO2/c9-5-2-8-4(1-6(5)10)7(11)3-12-8/h1-2H,3H2
InChIKey
CCLBQZQWCFUWOJ-UHFFFAOYSA-N
Compound name
6-bromo-5-fluoro-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.93787 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.94515 143.4
[M+Na]+ 252.92709 146.6
[M+NH4]+ 247.97169 148.4
[M+K]+ 268.90103 148.0
[M-H]- 228.93059 143.8
[M+Na-2H]- 250.91254 144.6
[M]+ 229.93732 142.7
[M]- 229.93842 142.7
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.