CID 17241

Disulfoton sulfone

Structural Information

Molecular Formula

C₈H₁₉O₄PS₃

SMILES

CCOP(=S)(OCC)SCCS(=O)(=O)CC

InChI

InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3

InChIKey

BKVJOVPVLOJPKJ-UHFFFAOYSA-N

Compound name

diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 3
References: 53
Patents: 306.0183 Da
Monoisotopic Mass: 1.9
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]+	307.02558	163.5
[M+Na]+	329.00752	168.7
[M-H]-	305.01102	161.1
[M+NH4]+	324.05212	178.7
[M+K]+	344.98146	163.6
[M+H-H2O]+	289.01556	154.5
[M+HCOO]-	351.01650	173.8
[M+CH3COO]-	365.03215	199.9
[M+Na-2H]-	326.99297	162.1
[M]+	306.01775	169.8
[M]-	306.01885	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe