Spectrum CCMSLIB00000078391 for Chlormezanone (Trancopal)

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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
80-77-3
C11H12ClNO3S
273.022641924
O=C1N(C)C(C2=CC=C(Cl)C=C2)S(=O)(=O)CC1
InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3
WEQAYVWKMWHEJO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
273.023
1
Plate6_21_40_GD8_01_15775.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
3.5486902775015112
0.6723405053915342
274.03
[M+H]+
2.233054775223103 ppm
-6.119240000543869E-4 Da