Spectrum CCMSLIB00001058451 for Pesticide4_Imazalil_C14H14Cl2N2O_Freshgard

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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
35554-44-0
n/a
InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
C14H14Cl2N2O
296.04831842799996
ClC1=CC=C(C(Cl)=C1)C(OCC=C)CN2C=NC=C2
PZBPKYOVPCNPJY-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
commercial
Q-Exactive Plus Orbitrap Res 70k
296.048
1
positive
Pesticide_Mix4_pos.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.9938379774847566
0.5071023396587515
297.055
[M+H]+
4.337338203203266 ppm
-0.001288427999952546 Da