Dataset
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
Chemical Info
InChI | InChI=1S/C10H6F6O5S/c1-20-8(17)6-3-2-5(9(11,12)13)4-7(6)21-22(18,19)10(14,15)16/h2-4H,1H3 |
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SMILES | COC(=O)c1ccc(cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F |
InChI Key | SXBGVJQQQNXKCD-UHFFFAOYSA-N |
Molecular Formula | C10H6F6O5S |
Exact Mass | 352.207 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/SXBGVJQQQNXKCD-UHFFFAOYSA-N/CHMO0000485 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/SXBGVJQQQNXKCD-UHFFFAOYSA-N/CHMO0000485 |
Version | |
Author | Irina Balova |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:01:47.830812 |
MetadataModified | 2024-09-08T01:01:47.830818 |
MetadataPublished | 2023-06-02 |
Field | Value |
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Measurement Technique | high-resolution electrospray ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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SCHEMBL16750947 | SureChEMBL |
118104137 | PubChem |
The data in this table is sourced from UniChem at EBI. |