CID 677886
Methanone, (4-bromophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)-
Structural Information
- Molecular Formula
- C15H11BrO3
- SMILES
- C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=C(C=C3)Br
- InChI
- InChI=1S/C15H11BrO3/c16-12-4-1-10(2-5-12)15(17)11-3-6-13-14(9-11)19-8-7-18-13/h1-6,9H,7-8H2
- InChIKey
- SGJFGWWIHHLCTG-UHFFFAOYSA-N
- Compound name
- (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 318.99645 | 165.4 |
[M+Na]+ | 340.97839 | 175.2 |
[M-H]- | 316.98189 | 176.1 |
[M+NH4]+ | 336.02299 | 181.5 |
[M+K]+ | 356.95233 | 166.9 |
[M+H-H2O]+ | 300.98643 | 164.4 |
[M+HCOO]- | 362.98737 | 181.9 |
[M+CH3COO]- | 377.00302 | 179.0 |
[M+Na-2H]- | 338.96384 | 173.1 |
[M]+ | 317.98862 | 184.2 |
[M]- | 317.98972 | 184.2 |