CID 89979

O,o-diethyl o-2-ethylthioethyl phosphate

Structural Information

Molecular Formula

C₈H₁₉O₄PS

SMILES

CCOP(=O)(OCC)OCCSCC

InChI

InChI=1S/C8H19O4PS/c1-4-10-13(9,11-5-2)12-7-8-14-6-3/h4-8H2,1-3H3

InChIKey

NMQDGOQOOUKIGM-UHFFFAOYSA-N

Compound name

diethyl 2-ethylsulfanylethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.07417 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]+	243.08145	154.3
[M+Na]+	265.06339	160.4
[M-H]-	241.06689	153.2
[M+NH4]+	260.10799	173.0
[M+K]+	281.03733	160.0
[M+H-H2O]+	225.07143	146.4
[M+HCOO]-	287.07237	177.2
[M+CH3COO]-	301.08802	191.5
[M+Na-2H]-	263.04884	154.6
[M]+	242.07362	164.4
[M]-	242.07472	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe