Spectrum FiehnHILIC001821 for Cefaclor

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
QYIYFLOTGYLRGG-GPCCPHFNSA-N
C15H14ClN3O4S
367.03935460800005
O=C(O)C1=C(Cl)CSC2N1C(=O)C2N=C(O)C(N)C=3C=CC=CC3
InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
872
positive
6.849983
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)
2.345390701472627
0.8887229069080345
368.0432
[M+H]+
11.206858325437212 ppm
-0.004124608000040553 Da