Spectrum CCMSLIB00001058593 for Pesticide4_Clofentezine_C14H8Cl2N4_1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-

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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
74115-24-5
n/a
InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
C14H8Cl2N4
302.012601616
ClC=1C=CC=CC1C=2N=NC(=NN2)C3=CC=CC=C3Cl
UXADOQPNKNTIHB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Q-Exactive Plus Orbitrap Res 70k
302.013
1
positive
Pesticide_Mix4_pos.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
0.9979453401175924
0.25381220667868865
303.02
[M+H]+
1.88639693750246 ppm
-5.716160000019954E-4 Da