Spectrum CCMSLIB00001058567 for Pesticide6_Tetraconazole_C13H11Cl2F4N3O_1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole

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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
112281-77-3
n/a
InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2
C13H11Cl2F4N3O
371.02153021199996
FC(F)C(F)(F)OCC(C1=CC=C(Cl)C=C1Cl)CN2N=CN=C2
LQDARGUHUSPFNL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Q-Exactive Plus Orbitrap Res 14k
371.022
1
positive
Pesticide_Mix6_pos_14k.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.3768502899694102
0.4859677414896755
372.029
[M+H]+
1.3445510967238707 ppm
-5.00211999963085E-4 Da