CID 14459

O,o,s-triethyl thiophosphate

Structural Information

Molecular Formula

C₆H₁₅O₃PS

SMILES

CCOP(=O)(OCC)SCC

InChI

InChI=1S/C6H15O3PS/c1-4-8-10(7,9-5-2)11-6-3/h4-6H2,1-3H3

InChIKey

YEXTYUIZRKSYHA-UHFFFAOYSA-N

Compound name

1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 177
Patents: 198.04796 Da
Monoisotopic Mass: 1.3
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]+	199.05524	142.3
[M+Na]+	221.03718	149.5
[M-H]-	197.04068	141.7
[M+NH4]+	216.08178	162.9
[M+K]+	237.01112	149.1
[M+H-H2O]+	181.04522	135.1
[M+HCOO]-	243.04616	165.6
[M+CH3COO]-	257.06181	183.4
[M+Na-2H]-	219.02263	143.3
[M]+	198.04741	150.2
[M]-	198.04851	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe