CID 3073218
Phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
Structural Information
- Molecular Formula
- C17H16O2
- SMILES
- C1CCOC2=C(C1)C=C(C=C2)C(=O)C3=CC=CC=C3
- InChI
- InChI=1S/C17H16O2/c18-17(13-6-2-1-3-7-13)15-9-10-16-14(12-15)8-4-5-11-19-16/h1-3,6-7,9-10,12H,4-5,8,11H2
- InChIKey
- GNGOMLKPCPHGBD-UHFFFAOYSA-N
- Compound name
- phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 253.12232 | 154.5 |
[M+Na]+ | 275.10426 | 158.9 |
[M-H]- | 251.10776 | 162.9 |
[M+NH4]+ | 270.14886 | 169.7 |
[M+K]+ | 291.07820 | 160.3 |
[M+H-H2O]+ | 235.11230 | 148.9 |
[M+HCOO]- | 297.11324 | 173.0 |
[M+CH3COO]- | 311.12889 | 165.8 |
[M+Na-2H]- | 273.08971 | 160.5 |
[M]+ | 252.11449 | 150.0 |
[M]- | 252.11559 | 150.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.