CID 115466

63978-58-5

Structural Information

Molecular Formula

C₆H₁₁Cl₂NS

SMILES

CCN1CC(SC(C1)Cl)Cl

InChI

InChI=1S/C6H11Cl2NS/c1-2-9-3-5(7)10-6(8)4-9/h5-6H,2-4H2,1H3

InChIKey

XHFQDVMIVZJFMV-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-ethylthiomorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.99893 Da
Monoisotopic Mass: 2.6
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]+	200.00621	136.4
[M+Na]+	221.98815	144.7
[M-H]-	197.99165	138.0
[M+NH4]+	217.03275	156.4
[M+K]+	237.96209	140.4
[M+H-H2O]+	181.99619	132.4
[M+HCOO]-	243.99713	141.3
[M+CH3COO]-	258.01278	180.9
[M+Na-2H]-	219.97360	137.2
[M]+	198.99838	136.7
[M]-	198.99948	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.