Spectrum CCMSLIB00001058502 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
363.0664605360001
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
Q-Exactive Plus Orbitrap Res 14k
363.066
1
positive
Pesticide_Mix5_pos_14k.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.311001009885567
0.41811622653466585
364.073
[M+H]+
3.9292559461985554 ppm
-0.0014305360001003464 Da