Spectrum CCMSLIB00001058433 for Pesticide5_Clothianidin_C6H8ClN5O2S_[C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N?-methyl-N?-nitroguanidine

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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
210880-92-5
n/a
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)
C6H8ClN5O2S
249.008723176
O=N(=O)NC(=NC)NCC=1SC(Cl)=NC1
PGOOBECODWQEAB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Q-Exactive Plus Orbitrap Res 70k
249.009
1
negative
Pesticide_Mix5_neg.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-NEGATIVE
mwang87, Dorrestein/Touboul, lfnothias
2.625380022599079
0.6551439326966711
248.002
[M-H]-
2.229111055597666 ppm
5.528240000103324E-4 Da