Spectrum WA000049 for Clothianidin

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
PGOOBECODWQEAB-UHFFFAOYSA-N
C6H8ClN5O2S
249.00872317600002
O=N(=O)NC(=NC)NCC=1SC(Cl)=NC1

Mass Spectral Metadata

NameValue
WA000049
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
249.00872
QuattroPremier XE, Waters
LC-ESI-QQ
MS2
20 V
ignore rel.int. < 5
positive
1.7284128762688762
0.6100539092458056
249.96
[M+H]+
226.80899343899114 ppm
-0.056693176000010226 Da