Spectrum CCMSLIB00001058933 for Pesticide3_Fluometuron_C10H11F3N2O_Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]-

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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
2164-17-2
n/a
C10H11F3N2O
232.082347632
FC(F)(F)C=1C=CC=C(N=C(O)N(C)C)C1
RZILCCPWPBTYDO-UHFFFAOYSA-N
InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)

Mass Spectral Metadata

NameValue
MS2
LC-ESI
commercial
Q-Exactive Plus Orbitrap Res 70k
232.082
1
positive
Pesticide_Mix3_pos.mzXML
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.0408418658660643
0.29516036678619473
233.089
[M+H]+
5.652913693892389 ppm
-0.0013176319999956831 Da