4-Chloropyridinium chloride(7379-35-3) MS

Product Name4-Chloropyridinium chloride

CAS 7379-35-3

Molecular FormulaC5H4ClN.ClH

Molecular Weight150.01

InChIInChI=1S/C5H4ClN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H

InChIKey XGAFCCUNHIMIRV-UHFFFAOYSA-N

SmilesC1(Cl)=CC=NC=C1.Cl

Request For Quotation

Mass

MS-NW-9260          
4-chloropyridine hydrochloride
C5H4ClN HCl         (Mass of molecular ion:    113)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       1.6
      26.0       1.1
      28.0       1.7
      35.0       2.4
      36.0      34.3
      37.0       1.6
      38.0      11.5
      38.5       1.7
      49.0       3.0
      50.0      11.1
      51.0      24.6
      52.0       2.6
      56.5       1.1
      60.0       1.5
      73.0       2.6
      75.0       1.9
      76.0       4.0
      77.0       1.5
      78.0      65.3
      79.0       3.9
      85.0       1.5
      86.0       4.3
      87.0       1.0
      88.0       1.4
     112.0       1.6
     113.0     100.0
     114.0       8.1
     115.0      32.2
     116.0       2.4

90 MHz in D2O

¹H NMR	89.56 MHz
C₅ H₄ Cl N	0.040 g : 0.5 ml D₂O
4-chloropyridine hydrochloride

    Assign.     Shift(ppm)

      A             8.794
      B             8.19
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    791.81   8.842    768
    790.63   8.828    357
    790.06   8.822    335
    786.63   8.784    353
    784.75   8.763   1000
    783.13   8.745    192
    736.75   8.227    742
    731.31   8.166    306
    729.75   8.149    584

in CDCl3