atmospheric pressure chemical ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/IOGOYECUJCGPGG-UHFFFAOYSA-N/CHMO0000473
Dataset description:
dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)\n\n
Source: atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
Chemical Info
| InChI | InChI=1S/C21H15BrF3NO4/c1-29-17-10-15(19(30-2)13-6-4-3-5-12(13)17)18(27)14-9-11(7-8-16(14)22)26-20(28)21(23,24)25/h3-10H,1-2H3,(H,26,28) |
|---|---|
| SMILES | COc1c(cc(c2c1cccc2)OC)C(=O)c1cc(ccc1Br)NC(=O)C(F)(F)F |
| InChI Key | IOGOYECUJCGPGG-UHFFFAOYSA-N |
| Molecular Formula | C21H15BrF3NO4 |
| Exact Mass | 482.247 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 7, 2024 |
| Metadata last updated | September 7, 2024 |
| Created | September 7, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 152cb26e-b3df-410f-8286-5ad8cd293ca9 |
| Package id | 10-14272-iogoyecujcgpgg-uhfffaoysa-n-chmo0000473 |
| Resource type | HTML |
| State | active |