CID 87763

18722-80-0

Structural Information

Molecular Formula

C₉H₁₃O₂PS₃

SMILES

COP(=S)(OC)SCSC1=CC=CC=C1

InChI

InChI=1S/C9H13O2PS3/c1-10-12(13,11-2)15-8-14-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

InChIKey

REKAQZOUNOBYJX-UHFFFAOYSA-N

Compound name

dimethoxy-(phenylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 279.98154 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]+	280.98882	152.5
[M+Na]+	302.97076	159.4
[M-H]-	278.97426	153.8
[M+NH4]+	298.01536	169.2
[M+K]+	318.94470	153.6
[M+H-H2O]+	262.97880	143.4
[M+HCOO]-	324.97974	165.3
[M+CH3COO]-	338.99539	195.9
[M+Na-2H]-	300.95621	151.6
[M]+	279.98099	156.3
[M]-	279.98209	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe