CID 61039

115-91-3

Structural Information

Molecular Formula

C₉H₁₃O₄PS₂

SMILES

COP(=S)(OC)OC1=CC=C(C=C1)S(=O)C

InChI

InChI=1S/C9H13O4PS2/c1-11-14(15,12-2)13-8-4-6-9(7-5-8)16(3)10/h4-7H,1-3H3

InChIKey

DYAVFUPXPKGVQO-UHFFFAOYSA-N

Compound name

dimethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 279.9993 Da
Monoisotopic Mass: 2.2
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]+	281.00658	155.4
[M+Na]+	302.98852	164.8
[M+NH4]+	298.03312	162.3
[M+K]+	318.96246	157.4
[M-H]-	278.99202	155.3
[M+Na-2H]-	300.97397	158.9
[M]+	279.99875	157.4
[M]-	279.99985	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe