CID 165362

O-(4-chlorophenyl) o,o-diethyl phosphorothioate

Structural Information

Molecular Formula

C₁₀H₁₄ClO₃PS

SMILES

CCOP(=S)(OCC)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H14ClO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3

InChIKey

ULEIOHDPTRIZER-UHFFFAOYSA-N

Compound name

(4-chlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 280.00897 Da
Monoisotopic Mass: 3.9
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]+	281.016246	155.9
[M+Na]+	302.998188	164.5
[M-H]-	279.001694	159.0
[M+NH4]+	298.042793	174.3
[M+K]+	318.972128	160.9
[M+H-H2O]+	263.006230	148.6
[M+HCOO]-	325.007171	175.4
[M+CH3COO]-	339.022821	195.6
[M+Na-2H]-	300.983636	156.9
[M]+	280.00842142	164.9
[M]-	280.00951858	164.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.