CID 107114

Bayer 19564

Structural Information

Molecular Formula

C₉H₁₉O₄PS

SMILES

CCOP(=S)(OCC)OCC1CCCO1

InChI

InChI=1S/C9H19O4PS/c1-3-11-14(15,12-4-2)13-8-9-6-5-7-10-9/h9H,3-8H2,1-2H3

InChIKey

KZAOCXFBXMOEKU-UHFFFAOYSA-N

Compound name

diethoxy-(oxolan-2-ylmethoxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.07417 Da
Monoisotopic Mass: 2.4
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]+	255.08145	157.1
[M+Na]+	277.06339	162.3
[M-H]-	253.06689	159.4
[M+NH4]+	272.10799	175.5
[M+K]+	293.03733	162.9
[M+H-H2O]+	237.07143	149.4
[M+HCOO]-	299.07237	178.6
[M+CH3COO]-	313.08802	190.5
[M+Na-2H]-	275.04884	156.6
[M]+	254.07362	163.3
[M]-	254.07472	163.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.