CID 12541

Thiometon

Structural Information

Molecular Formula

C₆H₁₅O₂PS₃

SMILES

CCSCCSP(=S)(OC)OC

InChI

InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3

InChIKey

OPASCBHCTNRLRM-UHFFFAOYSA-N

Compound name

2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 19
References: 22050
Patents: 245.99718 Da
Monoisotopic Mass: 2.7
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]+	247.004456	146.1
[M+Na]+	268.986398	152.2
[M-H]-	244.989904	144.2
[M+NH4]+	264.031003	164.0
[M+K]+	284.960338	147.6
[M+H-H2O]+	228.994440	137.5
[M+HCOO]-	290.995381	157.5
[M+CH3COO]-	305.011031	191.9
[M+Na-2H]-	266.971846	143.5
[M]+	245.99663142	151.1
[M]-	245.99772858	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe