CID 121598536

3-[(2-chloroethyl)sulfanyl]oxolane

Structural Information

Molecular Formula

C₆H₁₁ClOS

SMILES

C1COCC1SCCCl

InChI

InChI=1S/C6H11ClOS/c7-2-4-9-6-1-3-8-5-6/h6H,1-5H2

InChIKey

LYZKPGVVWLRZJF-UHFFFAOYSA-N

Compound name

3-(2-chloroethylsulfanyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.02191 Da
Monoisotopic Mass: 1.5
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]+	167.02919	132.8
[M+Na]+	189.01113	143.6
[M+NH4]+	184.05573	142.9
[M+K]+	204.98507	136.7
[M-H]-	165.01463	136.0
[M+Na-2H]-	186.99658	136.6
[M]+	166.02136	135.9
[M]-	166.02246	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.