Spectrum CCMSLIB00001058511 for Pesticide5_Cyazofamid_C13H13ClN4O2S_4-Chloro-1-(dimethylaminosulfonyl)-5-(p-tolyl)imidazole-2-carbonitrile

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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
120116-88-3
n/a
InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3
C13H13ClN4O2S
324.04477433600005
N#CC1=NC(Cl)=C(C=2C=CC(=CC2)C)N1S(=O)(=O)N(C)C
YXKMMRDKEKCERS-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Q-Exactive Plus Orbitrap Res 14k
682.023
1
positive
Pesticide_Mix5_pos_14k.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.1063366443184655
0.3827662103658744
705.012
[M+Na]+
507760.79792117 ppm
357.9774556639999 Da