CID 43511785

7-bromo-5-chloro-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula
C8H4BrClO2
SMILES
C1C(=O)C2=C(O1)C(=CC(=C2)Cl)Br
InChI
InChI=1S/C8H4BrClO2/c9-6-2-4(10)1-5-7(11)3-12-8(5)6/h1-2H,3H2
InChIKey
SSONNUKQVUJKHI-UHFFFAOYSA-N
Compound name
7-bromo-5-chloro-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

245.90833 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.91561 142.3
[M+Na]+ 268.89755 157.5
[M-H]- 244.90105 150.8
[M+NH4]+ 263.94215 166.2
[M+K]+ 284.87149 146.3
[M+H-H2O]+ 228.90559 144.5
[M+HCOO]- 290.90653 159.2
[M+CH3COO]- 304.92218 186.7
[M+Na-2H]- 266.88300 149.8
[M]+ 245.90778 164.1
[M]- 245.90888 164.1
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