Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H9ClINO/c10-6-5-9(13)12-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H,12,13)
SMILES	ClCCC(=O)Nc1ccc(cc1)I
InChI Key	HDSVPZQNUZOGIK-UHFFFAOYSA-N
Molecular Formula	C9H9ClINO
Exact Mass	309.531 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HDSVPZQNUZOGIK-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/HDSVPZQNUZOGIK-UHFFFAOYSA-N/Mass
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:42:17.128556
MetadataModified	2024-09-07T14:32:33.366632
MetadataPublished	2018-09-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
99220401	PubChem: Thomson Pharma
5058705	PubChem
CHEMBL1170764	ChEMBL
ZINC000005674469	ZINC
The data in this table is sourced from UniChem at EBI.