CID 6436319

Chemagro 4638

Structural Information

Molecular Formula

C₆H₁₁Cl₂O₃PS

SMILES

CCOP(=O)(OCC)S/C(=C\Cl)/Cl

InChI

InChI=1S/C6H11Cl2O3PS/c1-3-10-12(9,11-4-2)13-6(8)5-7/h5H,3-4H2,1-2H3/b6-5-

InChIKey

JTNXJBWNMSFKDV-WAYWQWQTSA-N

Compound name

(E)-1,2-dichloro-1-diethoxyphosphorylsulfanylethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.95435 Da
Monoisotopic Mass: 2.3
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]+	264.961626	147.3
[M+Na]+	286.943568	155.7
[M-H]-	262.947074	147.1
[M+NH4]+	281.988173	166.7
[M+K]+	302.917508	151.8
[M+H-H2O]+	246.951610	142.7
[M+HCOO]-	308.952551	160.6
[M+CH3COO]-	322.968201	190.9
[M+Na-2H]-	284.929016	147.1
[M]+	263.95380142	156.3
[M]-	263.95489858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.