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mass spectrometry (MS)

URL: https://www.chemotion-repository.net/inchikey/IBDTXQKORWUHSR-UHFFFAOYSA-N/CHMO0000470

Dataset description:

dataset for mass spectrometry (MS)\n\n

Source: mass spectrometry (MS)

Chemical Info

molecular Image

InChI	InChI=1S/C21H11F17N2O3/c22-14(23,5-8-7-42-13(43-8)12-11(6-41)39-9-3-1-2-4-10(9)40-12)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h1-4,6,8,13H,5,7H2
SMILES	O=Cc1nc2ccccc2nc1C1OCC(O1)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	IBDTXQKORWUHSR-UHFFFAOYSA-N
Molecular Formula	C21H11F17N2O3
Exact Mass	662.296 g/mol

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Additional Information

Field	Value
Data last updated	September 8, 2024
Metadata last updated	September 8, 2024
Created	September 8, 2024
Format	HTML
License	No License Provided
Id	b67485cb-32df-4f4e-8b68-936a94858429
Package id	10-14272-ibdtxqkorwuhsr-uhfffaoysa-n-chmo0000470
Resource type	HTML
State	active