CID 77395

Monsanto cp-13206

Structural Information

Molecular Formula

C₁₀H₂₄O₄P₂S₅

SMILES

CCOP(=S)(OCC)SCSCSP(=S)(OCC)OCC

InChI

InChI=1S/C10H24O4P2S5/c1-5-11-15(17,12-6-2)20-9-19-10-21-16(18,13-7-3)14-8-4/h5-10H2,1-4H3

InChIKey

XAPFNRDTCIXDLS-UHFFFAOYSA-N

Compound name

diethoxyphosphinothioylsulfanylmethylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 429.97534 Da
Monoisotopic Mass: 5.8
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]+	430.982616	188.1
[M+Na]+	452.964558	189.4
[M-H]-	428.968064	181.2
[M+NH4]+	448.009163	196.6
[M+K]+	468.938498	178.9
[M+H-H2O]+	412.972600	173.9
[M+HCOO]-	474.973541	192.2
[M+CH3COO]-	488.989191	223.2
[M+Na-2H]-	450.950006	185.5
[M]+	429.97479142	187.5
[M]-	429.97588858	187.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.