Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C17H14F9N/c1-9-13(2,3)11-8-10(4-5-12(11)27-9)6-7-14(18,19)15(20,21)16(22,23)17(24,25)26/h4-8H,1-3H3/b7-6+ |
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SMILES | CC1=Nc2c(C1(C)C)cc(cc2)/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
InChI Key | CKIZWXHHPDAWDC-VOTSOKGWSA-N |
Molecular Formula | C17H14F9N |
Exact Mass | 403.285 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/CKIZWXHHPDAWDC-VOTSOKGWSA-N/Mass |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/CKIZWXHHPDAWDC-VOTSOKGWSA-N/Mass |
Version | |
Author | Alex Braun |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T01:48:48.774390 |
MetadataModified | 2024-09-07T16:09:12.921950 |
MetadataPublished | 2019-11-06 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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139592019 | PubChem |
The data in this table is sourced from UniChem at EBI. |