CID 200765

Hercules 3895

Structural Information

Molecular Formula

C₁₀H₂₁O₄PS₂

SMILES

CCOP(=O)(OCC)OC=C(SCC)SCC

InChI

InChI=1S/C10H21O4PS2/c1-5-12-15(11,13-6-2)14-9-10(16-7-3)17-8-4/h9H,5-8H2,1-4H3

InChIKey

OGXDOCNBMQFRLU-UHFFFAOYSA-N

Compound name

2,2-bis(ethylsulfanyl)ethenyl diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 300.0619 Da
Monoisotopic Mass: 2.6
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]+	301.06918	165.1
[M+Na]+	323.05112	169.8
[M-H]-	299.05462	163.3
[M+NH4]+	318.09572	181.3
[M+K]+	339.02506	167.1
[M+H-H2O]+	283.05916	156.3
[M+HCOO]-	345.06010	181.0
[M+CH3COO]-	359.07575	201.0
[M+Na-2H]-	321.03657	161.8
[M]+	300.06135	174.5
[M]-	300.06245	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe