CID 12337497

3-(bromomethyl)benzofuran

Structural Information

Molecular Formula
C9H7BrO
SMILES
C1=CC=C2C(=C1)C(=CO2)CBr
InChI
InChI=1S/C9H7BrO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5H2
InChIKey
AEWASAYNGKXLBK-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
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 135.8
[M+Na]+ 232.95725 141.1
[M+NH4]+ 228.00185 142.3
[M+K]+ 248.93119 141.4
[M-H]- 208.96075 138.5
[M+Na-2H]- 230.94270 140.2
[M]+ 209.96748 136.3
[M]- 209.96858 136.3
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