CID 168019

22082-34-4

Structural Information

Molecular Formula

C₅H₁₃O₂PS₂

SMILES

CCSP(=O)(OC)SCC

InChI

InChI=1S/C5H13O2PS2/c1-4-9-8(6,7-3)10-5-2/h4-5H2,1-3H3

InChIKey

QSIMWFOYBFACSK-UHFFFAOYSA-N

Compound name

1-[ethylsulfanyl(methoxy)phosphoryl]sulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.00946 Da
Monoisotopic Mass: 1.0
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]+	201.01674	137.8
[M+Na]+	222.99868	145.0
[M-H]-	199.00218	137.0
[M+NH4]+	218.04328	158.2
[M+K]+	238.97262	142.9
[M+H-H2O]+	183.00672	130.2
[M+HCOO]-	245.00766	155.5
[M+CH3COO]-	259.02331	183.4
[M+Na-2H]-	220.98413	136.8
[M]+	200.00891	144.0
[M]-	200.01001	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.