CID 58487295

5-bromo-6-chloro-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C8H6BrClO
SMILES
C1COC2=CC(=C(C=C21)Br)Cl
InChI
InChI=1S/C8H6BrClO/c9-6-3-5-1-2-11-8(5)4-7(6)10/h3-4H,1-2H2
InChIKey
OZYJDXKIXMQKFF-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

231.92906 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.93634 140.3
[M+Na]+ 254.91828 145.2
[M+NH4]+ 249.96288 147.1
[M+K]+ 270.89222 145.4
[M-H]- 230.92178 142.8
[M+Na-2H]- 252.90373 143.2
[M]+ 231.92851 140.9
[M]- 231.92961 140.9
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