CID 2274215
3-(2-oxo-2-phenylethoxy)-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one
Structural Information
- Molecular Formula
- C21H18O4
- SMILES
- C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)C4=CC=CC=C4)OC2=O
- InChI
- InChI=1S/C21H18O4/c22-19(14-6-2-1-3-7-14)13-24-15-10-11-17-16-8-4-5-9-18(16)21(23)25-20(17)12-15/h1-3,6-7,10-12H,4-5,8-9,13H2
- InChIKey
- FATIAOIGJIMOAN-UHFFFAOYSA-N
- Compound name
- 3-phenacyloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 335.12778 | 175.5 |
[M+Na]+ | 357.10972 | 182.3 |
[M-H]- | 333.11322 | 184.0 |
[M+NH4]+ | 352.15432 | 189.1 |
[M+K]+ | 373.08366 | 178.9 |
[M+H-H2O]+ | 317.11776 | 166.1 |
[M+HCOO]- | 379.11870 | 193.0 |
[M+CH3COO]- | 393.13435 | 186.2 |
[M+Na-2H]- | 355.09517 | 181.3 |
[M]+ | 334.11995 | 176.7 |
[M]- | 334.12105 | 176.7 |
Literature stripe
Patent stripe
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