Spectrum CCMSLIB00001059037 for Pesticide6_Etaconazole Isomer 1*_C14H15Cl2N3O2_1-{[2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl}-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
60207-93-4
n/a
InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3
C14H15Cl2N3O2
327.05413208000004
ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)CC)CN3N=CN=C3
DWRKFAJEBUWTQM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Maxis HD qTOF
327.054
1
positive
Pesticide_mix6_BA6_01_8696.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
2.326174272517264
0.32797322462479267
328.061
[M+H]+
3.359375238344417 ppm
-0.0011020800000665076 Da