CID 9274

O,o-diethyl dithiophosphate

Structural Information

Molecular Formula

C₄H₁₁O₂PS₂

SMILES

CCOP(=S)(OCC)S

InChI

InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)

InChIKey

IRDLUHRVLVEUHA-UHFFFAOYSA-N

Compound name

diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 66
References: 5884
Patents: 185.9938 Da
Monoisotopic Mass: 2.4
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]+	187.00108	133.4
[M+Na]+	208.98302	141.0
[M-H]-	184.98652	132.8
[M+NH4]+	204.02762	154.4
[M+K]+	224.95696	139.1
[M+H-H2O]+	168.99106	126.0
[M+HCOO]-	230.99200	151.4
[M+CH3COO]-	245.00765	180.4
[M+Na-2H]-	206.96847	132.9
[M]+	185.99325	139.2
[M]-	185.99435	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe