Spectrum FiehnHILIC002664 for Diclofenac

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
DCOPUUMXTXDBNB-UHFFFAOYSA-N
C14H11Cl2NO2
295.016683952
O=C(O)CC=1C=CC=CC1NC=2C(Cl)=CC=CC2Cl
InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)

Mass Spectral Metadata

NameValue
M + 0
15 eV
negative
96
35 eV
1.091867
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.701292290436386
0.27341369855755615
294.0106
[M-H]-
4.054438853589503 ppm
0.001192048000007162 Da