CID 167139

14683-75-1

Structural Information

Molecular Formula

C₁₀H₂₃O₃PS

SMILES

CCCCC(C)OP(=S)(OCC)OCC

InChI

InChI=1S/C10H23O3PS/c1-5-8-9-10(4)13-14(15,11-6-2)12-7-3/h10H,5-9H2,1-4H3

InChIKey

FUHNJWGKVQRFEE-UHFFFAOYSA-N

Compound name

diethoxy-hexan-2-yloxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 254.11055 Da
Monoisotopic Mass: 4.2
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]+	255.11783	160.9
[M+Na]+	277.09977	166.1
[M-H]-	253.10327	159.6
[M+NH4]+	272.14437	179.2
[M+K]+	293.07371	165.2
[M+H-H2O]+	237.10781	152.9
[M+HCOO]-	299.10875	181.9
[M+CH3COO]-	313.12440	196.2
[M+Na-2H]-	275.08522	158.8
[M]+	254.11000	169.7
[M]-	254.11110	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe