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

20
Patents

231.92906 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.936336 141.6
[M+Na]+ 254.918278 155.9
[M-H]- 230.921784 149.7
[M+NH4]+ 249.962883 166.0
[M+K]+ 270.892218 144.7
[M+H-H2O]+ 214.926320 143.7
[M+HCOO]- 276.927261 158.1
[M+CH3COO]- 290.942911 158.0
[M+Na-2H]- 252.903726 149.7
[M]+ 231.92851142 162.4
[M]- 231.92960858 162.4
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