CID 12655450

3-(bromomethyl)-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1C(C2=CC=CC=C2O1)CBr
InChI
InChI=1S/C9H9BrO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7H,5-6H2
InChIKey
LGXKHJGWWLOXMI-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.98367 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 139.2
[M+Na]+ 234.97289 142.8
[M+NH4]+ 230.01749 145.6
[M+K]+ 250.94683 143.5
[M-H]- 210.97639 141.6
[M+Na-2H]- 232.95834 142.0
[M]+ 211.98312 139.3
[M]- 211.98422 139.3
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

No patent data available for this compound.