CID 12326316

41014-27-1

Structural Information

Molecular Formula
C9H7BrO
SMILES
C1=CC=C2C(=C1)C=C(O2)CBr
InChI
InChI=1S/C9H7BrO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2
InChIKey
ARJOJUQBOMFBDN-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

262
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

literature stripe

Patent stripe

patents stripe