CID 11252616

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

Structural Information

Molecular Formula
C8H7BrO
SMILES
C1COC2=C1C=CC(=C2)Br
InChI
InChI=1S/C8H7BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5H,3-4H2
InChIKey
BQWBDYZMUCSEHK-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

379
Patents

197.96803 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.97531 135.4
[M+Na]+ 220.95725 147.8
[M-H]- 196.96075 143.4
[M+NH4]+ 216.00185 159.9
[M+K]+ 236.93119 138.7
[M+H-H2O]+ 180.96529 136.8
[M+HCOO]- 242.96623 156.5
[M+CH3COO]- 256.98188 151.9
[M+Na-2H]- 218.94270 144.6
[M]+ 197.96748 154.1
[M]- 197.96858 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe