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	133.5
[M+Na]+	189.01113	141.1
[M-H]-	165.01463	137.5
[M+NH4]+	184.05573	156.0
[M+K]+	204.98507	139.5
[M+H-H2O]+	149.01917	129.6
[M+HCOO]-	211.02011	146.4
[M+CH3COO]-	225.03576	172.9
[M+Na-2H]-	186.99658	135.8
[M]+	166.02136	136.0
[M]-	166.02246	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.