Spectrum CCMSLIB00001058508 for Pesticide4_Boscalid_C18H12Cl2N2O_3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-

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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
188425-85-6
n/a
InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)
C18H12Cl2N2O
342.032668364
ClC=1C=CC(=CC1)C=2C=CC=CC2N=C(O)C3=CC=CN=C3Cl
WYEMLYFITZORAB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Q-Exactive Plus Orbitrap Res 70k
368.21
1
positive
Pesticide_Mix4_pos.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.822842009104235
0.4528404346133864
391.199
[M+Na]+
66913.67216173859 ppm
26.176561635999974 Da