CID 75261

2253-52-3

Structural Information

Molecular Formula

C₈H₁₉O₂PS₂

SMILES

CC(C)COP(=S)(OCC(C)C)S

InChI

InChI=1S/C8H19O2PS2/c1-7(2)5-9-11(12,13)10-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,12,13)

InChIKey

SYFIMIPHNTZHIN-UHFFFAOYSA-N

Compound name

bis(2-methylpropoxy)-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 943
Patents: 242.05641 Da
Monoisotopic Mass: 4.3
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]+	243.063686	150.6
[M+Na]+	265.045628	156.0
[M-H]-	241.049134	149.4
[M+NH4]+	260.090233	169.3
[M+K]+	281.019568	154.0
[M+H-H2O]+	225.053670	142.6
[M+HCOO]-	287.054611	165.3
[M+CH3COO]-	301.070261	193.7
[M+Na-2H]-	263.031076	146.6
[M]+	242.05586142	156.8
[M]-	242.05695858	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe