CID 76815

Bayer 30750

Structural Information

Molecular Formula

C₁₁H₁₇O₄PS₂

SMILES

CCOP(=S)(C)OC1=CC=C(C=C1)S(=O)(=O)CC

InChI

InChI=1S/C11H17O4PS2/c1-4-14-16(3,17)15-10-6-8-11(9-7-10)18(12,13)5-2/h6-9H,4-5H2,1-3H3

InChIKey

NOEYSRSSMYSCLW-UHFFFAOYSA-N

Compound name

ethoxy-(4-ethylsulfonylphenoxy)-methyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 308.03058 Da
Monoisotopic Mass: 2.5
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]+	309.037856	164.0
[M+Na]+	331.019798	171.3
[M-H]-	307.023304	166.2
[M+NH4]+	326.064403	179.9
[M+K]+	346.993738	167.4
[M+H-H2O]+	291.027840	155.2
[M+HCOO]-	353.028781	181.1
[M+CH3COO]-	367.044431	200.1
[M+Na-2H]-	329.005246	164.3
[M]+	308.03003142	170.9
[M]-	308.03112858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.