Spectrum CCMSLIB00001058418 for Pesticide2_Thidiazuron_C9H8N4OS_1-Phenyl-3-(1,2,3-thiadiazol-5-yl)urea

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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
51707-55-2
n/a
InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
C9H8N4OS
220.041881876
OC(=NC=1C=CC=CC1)NC=2SN=NC2
HFCYZXMHUIHAQI-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
commercial
Q-Exactive Plus Orbitrap Res 70k
220.042
1
negative
Pesticide_Mix2_neg.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-NEGATIVE
mwang87, Dorrestein/Touboul, lfnothias
0.7796172857909653
0.21280310285336365
255.011
[M+Cl]-
1897.494131625687 ppm
-0.4838818759999981 Da