CID 104376

27230-51-9

Structural Information

Molecular Formula

SMILES

C1=CN=CC=C1SCC(=O)Cl

InChI

InChI=1S/C7H6ClNOS/c8-7(10)5-11-6-1-3-9-4-2-6/h1-4H,5H2

InChIKey

IVRIXACFKSSWNB-UHFFFAOYSA-N

Compound name

2-pyridin-4-ylsulfanylacetyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 40
Patents: 186.98586 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.99314	135.2
[M+Na]+	209.97508	148.8
[M+NH4]+	205.01968	144.5
[M+K]+	225.94902	139.7
[M-H]-	185.97858	137.1
[M+Na-2H]-	207.96053	142.2
[M]+	186.98531	138.4
[M]-	186.98641	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe