CID 87566

Stauffer n-3735

Structural Information

Molecular Formula

C₈H₂₀O₂P₂S₅

SMILES

CCP(=S)(OC)SCSCSP(=S)(CC)OC

InChI

InChI=1S/C8H20O2P2S5/c1-5-11(13,9-3)16-7-15-8-17-12(14,6-2)10-4/h5-8H2,1-4H3

InChIKey

IPDFCGAQJIOBPK-UHFFFAOYSA-N

Compound name

ethyl-[[ethyl(methoxy)phosphinothioyl]sulfanylmethylsulfanylmethylsulfanyl]-methoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 369.95422 Da
Monoisotopic Mass: 4.5
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]+	370.961496	174.8
[M+Na]+	392.943438	177.8
[M-H]-	368.946944	168.6
[M+NH4]+	387.988043	185.7
[M+K]+	408.917378	167.1
[M+H-H2O]+	352.951480	161.2
[M+HCOO]-	414.952421	178.7
[M+CH3COO]-	428.968071	215.1
[M+Na-2H]-	390.928886	171.1
[M]+	369.95367142	171.5
[M]-	369.95476858	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.