Benzyl isothiocyanate(622-78-6) MS
Product NameBenzyl isothiocyanate
CAS622-78-6
Molecular FormulaC8H7NS
Molecular Weight149.21
InChIInChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N
SmilesC1(CN=C=S)=CC=CC=C1
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MassMS-IW-1565 benzyl isothiocyanate C8H7NS (Mass of molecular ion: 149)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
38.0 1.1 39.0 5.7 41.0 1.3 50.0 2.4 51.0 4.3 52.0 1.0 62.0 1.4 63.0 4.2 64.0 1.3 65.0 13.6 77.0 1.7 89.0 4.1 90.0 2.1 91.0 100.0 92.0 8.4 121.0 1.1 149.0 18.6 150.0 1.9
liquid film
