CID 58200106
5-(bromomethyl)-1,3-dihydro-2-benzofuran
Structural Information
- Molecular Formula
- C9H9BrO
- SMILES
- C1C2=C(CO1)C=C(C=C2)CBr
- InChI
- InChI=1S/C9H9BrO/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3H,4-6H2
- InChIKey
- CIRVAEJDKAWZIA-UHFFFAOYSA-N
- Compound name
- 5-(bromomethyl)-1,3-dihydro-2-benzofuran
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 212.99095 | 140.2 |
[M+Na]+ | 234.97289 | 152.2 |
[M-H]- | 210.97639 | 148.0 |
[M+NH4]+ | 230.01749 | 164.2 |
[M+K]+ | 250.94683 | 142.9 |
[M+H-H2O]+ | 194.98093 | 141.5 |
[M+HCOO]- | 256.98187 | 160.9 |
[M+CH3COO]- | 270.99752 | 156.3 |
[M+Na-2H]- | 232.95834 | 148.8 |
[M]+ | 211.98312 | 159.2 |
[M]- | 211.98422 | 159.2 |