CID 75406410

1204234-95-6

Structural Information

Molecular Formula

C₆H₃ClF₃NS

SMILES

C1=CC(=NC=C1SC(F)(F)F)Cl

InChI

InChI=1S/C6H3ClF3NS/c7-5-2-1-4(3-11-5)12-6(8,9)10/h1-3H

InChIKey

VBFOEFVOLUTFDF-UHFFFAOYSA-N

Compound name

2-chloro-5-(trifluoromethylsulfanyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 212.96268 Da
Monoisotopic Mass: 3.5
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]+	213.96996	132.0
[M+Na]+	235.95190	143.1
[M-H]-	211.95540	131.1
[M+NH4]+	230.99650	151.1
[M+K]+	251.92584	138.2
[M+H-H2O]+	195.95994	124.6
[M+HCOO]-	257.96088	141.8
[M+CH3COO]-	271.97653	181.7
[M+Na-2H]-	233.93735	136.2
[M]+	212.96213	131.7
[M]-	212.96323	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe