CID 3061883

79985-89-0

Structural Information

Molecular Formula

C₇H₁₇O₃PS

SMILES

CCCC(C)OP(=S)(OC)OC

InChI

InChI=1S/C7H17O3PS/c1-5-6-7(2)10-11(12,8-3)9-4/h7H,5-6H2,1-4H3

InChIKey

WFKICLHWGJUALX-UHFFFAOYSA-N

Compound name

dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.0636 Da
Monoisotopic Mass: 2.9
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]+	213.07088	146.9
[M+Na]+	235.05282	153.4
[M-H]-	211.05632	146.2
[M+NH4]+	230.09742	166.9
[M+K]+	251.02676	153.3
[M+H-H2O]+	195.06086	139.5
[M+HCOO]-	257.06180	168.9
[M+CH3COO]-	271.07745	187.2
[M+Na-2H]-	233.03827	146.4
[M]+	212.06305	154.6
[M]-	212.06415	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe