Spectrum CCMSLIB00001058814 for Pesticide5_Flufenacet_C14H13F4N3O2S_4'-Fluoro-N-isopropyl-2-(5-trifluoromethyl-1,3,4-thiadiazol-2-yloxy)acetanilide

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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
142459-58-3
n/a
InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3
C14H13F4N3O2S
363.066460536
O=C(N(C1=CC=C(F)C=C1)C(C)C)COC2=NN=C(S2)C(F)(F)F
IANUJLZYFUDJIH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Maxis HD qTOF
363.066
1
positive
Pesticide_mix5_BA5_01_8695.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.8561253950177115
0.5220657339073969
386.055
[M+Na]+
3.1874629263624707 ppm
-0.0012305360000368637 Da