CID 15156

1497-68-3

Structural Information

Molecular Formula

C₄H₁₀ClOPS

SMILES

CCOP(=S)(CC)Cl

InChI

InChI=1S/C4H10ClOPS/c1-3-6-7(5,8)4-2/h3-4H2,1-2H3

InChIKey

ILRHGKSQOWBYCL-UHFFFAOYSA-N

Compound name

chloro-ethoxy-ethyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 78
Patents: 171.98785 Da
Monoisotopic Mass: 2.7
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]+	172.99513	130.8
[M+Na]+	194.97707	139.8
[M-H]-	170.98057	130.9
[M+NH4]+	190.02167	153.5
[M+K]+	210.95101	137.1
[M+H-H2O]+	154.98511	125.5
[M+HCOO]-	216.98605	149.8
[M+CH3COO]-	231.00170	177.4
[M+Na-2H]-	192.96252	132.2
[M]+	171.98730	136.7
[M]-	171.98840	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe