Spectrum FiehnHILIC002945 for Propanil

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

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
LFULEKSKNZEWOE-UHFFFAOYSA-N
C9H9Cl2NO
217.006119268
ClC1=CC=C(N=C(O)CC)C=C1Cl
InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)

Mass Spectral Metadata

NameValue
M + 0
15 eV
negative
0.9742
79
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.0743120436788836
0.2116798523144546
216.004
[M-H]-
23.87331716074242 ppm
0.005156731999989006 Da