CID 70450

996-05-4

Structural Information

Molecular Formula

C₇H₁₇PS₃

SMILES

CCCSP(=S)(C)SCCC

InChI

InChI=1S/C7H17PS3/c1-4-6-10-8(3,9)11-7-5-2/h4-7H2,1-3H3

InChIKey

ZDUNRJQMFZIUCR-UHFFFAOYSA-N

Compound name

methyl-bis(propylsulfanyl)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 228.023 Da
Monoisotopic Mass: 3.8
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]+	229.03028	142.6
[M+Na]+	251.01222	148.9
[M-H]-	227.01572	140.8
[M+NH4]+	246.05682	161.5
[M+K]+	266.98616	143.4
[M+H-H2O]+	211.02026	134.2
[M+HCOO]-	273.02120	153.1
[M+CH3COO]-	287.03685	191.2
[M+Na-2H]-	248.99767	138.9
[M]+	228.02245	145.4
[M]-	228.02355	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe