Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C8H5Cl3INO/c9-8(10,11)7(14)13-6-3-1-5(12)2-4-6/h1-4H,(H,13,14)
SMILES	O=C(C(Cl)(Cl)Cl)Nc1ccc(cc1)I
InChI Key	VIZCGGJGPNRJFW-UHFFFAOYSA-N
Molecular Formula	C8H5Cl3INO
Exact Mass	364.395 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VIZCGGJGPNRJFW-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/VIZCGGJGPNRJFW-UHFFFAOYSA-N/Mass
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:43:22.862770
MetadataModified	2024-09-07T14:34:10.926425
MetadataPublished	2018-09-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-7557181344	Mcule
1797196	PubChem
ZINC000002143245	ZINC
1064830	eMolecules
SCHEMBL6933661	SureChEMBL
The data in this table is sourced from UniChem at EBI.