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 139.7
[M+Na]+ 252.92709 154.0
[M-H]- 228.93059 147.1
[M+NH4]+ 247.97169 163.3
[M+K]+ 268.90103 144.2
[M+H-H2O]+ 212.93513 140.4
[M+HCOO]- 274.93607 160.0
[M+CH3COO]- 288.95172 185.6
[M+Na-2H]- 250.91254 147.0
[M]+ 229.93732 158.7
[M]- 229.93842 158.7
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.