CID 20509979

79444-77-2

Structural Information

Molecular Formula
C9H7BrO
SMILES
C1=CC(=CC2=C1C=CO2)CBr
InChI
InChI=1S/C9H7BrO/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5H,6H2
InChIKey
FIPGKYDAXNUDCW-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

209.96803 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97531 136.5
[M+Na]+ 232.95725 150.5
[M-H]- 208.96075 145.1
[M+NH4]+ 228.00185 160.8
[M+K]+ 248.93119 140.9
[M+H-H2O]+ 192.96529 137.8
[M+HCOO]- 254.96623 160.0
[M+CH3COO]- 268.98188 153.7
[M+Na-2H]- 230.94270 147.1
[M]+ 209.96748 158.3
[M]- 209.96858 158.3
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