Spectrum CCMSLIB00001058264 for Pesticide3_Diflubenzuron_C14H9ClF2N2O2_N-[(4-Chlorophenyl)carbamoyl]-2,6-difluorobenzamide

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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
35367-38-5
n/a
InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)
C14H9ClF2N2O2
310.032061648
O=C(N=C(O)C=1C(F)=CC=CC1F)NC2=CC=C(Cl)C=C2
QQQYTWIFVNKMRW-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
commercial
Q-Exactive Plus Orbitrap Res 70k
310.032
1
negative
Pesticide_Mix3_neg.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-NEGATIVE
mwang87, Dorrestein/Touboul, lfnothias
2.084725228910237
0.6015245498729817
309.025
[M-H]-
0.6936396729830077 ppm
2.143519999435739E-4 Da