CID 43239

Schembl5933981

Structural Information

Molecular Formula

C₁₁H₁₅Cl₂O₃PS₂

SMILES

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

InChI

InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-8-6-9(12)11(13)10(7-8)19-3/h6-7H,4-5H2,1-3H3

InChIKey

SBLPWPLKGFWLKK-UHFFFAOYSA-N

Compound name

(3,4-dichloro-5-methylsulfanylphenoxy)-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 359.95773 Da
Monoisotopic Mass: 5.6
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]+	360.965006	164.7
[M+Na]+	382.946948	173.8
[M-H]-	358.950454	167.8
[M+NH4]+	377.991553	180.8
[M+K]+	398.920888	167.8
[M+H-H2O]+	342.954990	158.6
[M+HCOO]-	404.955931	173.5
[M+CH3COO]-	418.971581	209.4
[M+Na-2H]-	380.932396	162.4
[M]+	359.95718142	175.5
[M]-	359.95827858	175.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe