CID 58486828

1345120-17-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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 141.6
[M+Na]+ 254.91828 155.9
[M-H]- 230.92178 149.7
[M+NH4]+ 249.96288 166.0
[M+K]+ 270.89222 144.7
[M+H-H2O]+ 214.92632 143.7
[M+HCOO]- 276.92726 158.1
[M+CH3COO]- 290.94291 158.0
[M+Na-2H]- 252.90373 149.7
[M]+ 231.92851 162.4
[M]- 231.92961 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