Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C9H5ClF3NS2/c10-7(9(11,12)13)16-8-14-5-3-1-2-4-6(5)15-8/h1-4,7H |
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SMILES | ClC(C(F)(F)F)Sc1nc2c(s1)cccc2 |
InChI Key | VKLSNBPDAYGHSL-UHFFFAOYSA-N |
Molecular Formula | C9H5ClF3NS2 |
Exact Mass | 283.721 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/VKLSNBPDAYGHSL-UHFFFAOYSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/VKLSNBPDAYGHSL-UHFFFAOYSA-N/Mass/EI |
Version | |
Author | Andreas Hafner |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:31:28.020390 |
MetadataModified | 2024-09-07T12:43:36.192186 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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73427431 | PubChem |
The data in this table is sourced from UniChem at EBI. |