CID 588272

Sulprofos sulfoxide

Structural Information

Molecular Formula

C₁₂H₁₉O₃PS₃

SMILES

CCCSP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C

InChI

InChI=1S/C12H19O3PS3/c1-4-10-18-16(17,14-5-2)15-11-6-8-12(9-7-11)19(3)13/h6-9H,4-5,10H2,1-3H3

InChIKey

CBVUFUJJOXRACG-UHFFFAOYSA-N

Compound name

ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4
Patents: 338.0234 Da
Monoisotopic Mass: 3.5
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]+	339.030676	167.4
[M+Na]+	361.012618	173.0
[M-H]-	337.016124	168.3
[M+NH4]+	356.057223	181.6
[M+K]+	376.986558	166.9
[M+H-H2O]+	321.020660	157.8
[M+HCOO]-	383.021601	178.4
[M+CH3COO]-	397.037251	207.2
[M+Na-2H]-	358.998066	164.4
[M]+	338.02285142	172.5
[M]-	338.02394858	172.5

Literature stripe

literature stripe

Patent stripe

patents stripe