CID 95944

6301-04-8

Structural Information

Molecular Formula

C₆H₁₄ClO₃PS

SMILES

CCOP(=O)(OCC)SCCCl

InChI

InChI=1S/C6H14ClO3PS/c1-3-9-11(8,10-4-2)12-6-5-7/h3-6H2,1-2H3

InChIKey

BDELQCAZJMDRFX-UHFFFAOYSA-N

Compound name

1-chloro-2-diethoxyphosphorylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.00899 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]+	233.01627	145.6
[M+Na]+	254.99821	153.5
[M-H]-	231.00171	145.3
[M+NH4]+	250.04281	165.8
[M+K]+	270.97215	151.2
[M+H-H2O]+	215.00625	139.5
[M+HCOO]-	277.00719	164.5
[M+CH3COO]-	291.02284	187.2
[M+Na-2H]-	252.98366	146.6
[M]+	232.00844	155.2
[M]-	232.00954	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.