Spectrum FiehnHILIC000490 for Lofexidine

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
KSMAGQUYOIHWFS-UHFFFAOYSA-N
C11H12Cl2N2O
258.03266836399996
ClC1=CC=CC(Cl)=C1OC(C2=NCCN2)C
InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)

Mass Spectral Metadata

NameValue
M + 0
positive
HCD (NCE 20-30-40%)
2.649617
393
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.908561355237794
0.4369256538483071
259.0398
[M+H]+
3.2364293052516375 ppm
-8.383639999465231E-4 Da