CID 15376496

203731-39-9

Structural Information

Molecular Formula

C₆H₅Cl₂NS

SMILES

CSC1=CC(=C(N=C1)Cl)Cl

InChI

InChI=1S/C6H5Cl2NS/c1-10-4-2-5(7)6(8)9-3-4/h2-3H,1H3

InChIKey

BAYSIKMUOGEESD-UHFFFAOYSA-N

Compound name

2,3-dichloro-5-methylsulfanylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 192.95198 Da
Monoisotopic Mass: 3.0
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]+	193.95926	130.2
[M+Na]+	215.94120	141.7
[M-H]-	191.94470	132.9
[M+NH4]+	210.98580	150.8
[M+K]+	231.91514	136.6
[M+H-H2O]+	175.94924	126.3
[M+HCOO]-	237.95018	139.4
[M+CH3COO]-	251.96583	179.8
[M+Na-2H]-	213.92665	134.0
[M]+	192.95143	134.8
[M]-	192.95253	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe