Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C44H38ClF18N2.ClH/c1-35(2)28-22-24(18-20-37(46,47)39(50,51)41(54,55)43(58,59)60)10-14-30(28)64(5)32(35)16-12-26-8-7-9-27(34(26)45)13-17-33-36(3,4)29-23-25(11-15-31(29)65(33)6)19-21-38(48,49)40(52,53)42(56,57)44(61,62)63;/h10-23H,7-9H2,1-6H3;1H/q+1;/p-1/b20-18+,21-19+;
SMILES	ClC1=C(CCC/C/1=C\C=C/1\N(C)c2c(C1(C)C)cc(cc2)/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)/C=C/C1=[N+](C)c2c(C1(C)C)cc(cc2)/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[Cl-]
InChI Key	WNUUONRSJXPAFK-RRCQUFFISA-M
Molecular Formula	C44H38Cl2F18N2
Exact Mass	1007.663 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WNUUONRSJXPAFK-RRCQUFFISA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WNUUONRSJXPAFK-RRCQUFFISA-M/CHMO0000470
Version
Author	Alex Braun
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:49:30.556590
MetadataModified	2024-09-07T16:10:09.249404
MetadataPublished	2019-11-06

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
139593334	PubChem
The data in this table is sourced from UniChem at EBI.