CID 6541

78-52-4

Structural Information

Molecular Formula

C₈H₁₉O₂PS₃

SMILES

CCOP(=S)(OCC)SCSC(C)C

InChI

InChI=1S/C8H19O2PS3/c1-5-9-11(12,10-6-2)14-7-13-8(3)4/h8H,5-7H2,1-4H3

InChIKey

QVSDWRRZCKGXCO-UHFFFAOYSA-N

Compound name

diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 274.02847 Da
Monoisotopic Mass: 4.0
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]+	275.035746	154.2
[M+Na]+	297.017688	159.2
[M-H]-	273.021194	152.0
[M+NH4]+	292.062293	171.0
[M+K]+	312.991628	154.5
[M+H-H2O]+	257.025730	145.4
[M+HCOO]-	319.026671	164.0
[M+CH3COO]-	333.042321	198.3
[M+Na-2H]-	295.003136	150.2
[M]+	274.02792142	159.4
[M]-	274.02901858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe