CID 17612

2703-13-1

Structural Information

Molecular Formula

C₁₀H₁₅O₂PS₂

SMILES

CCOP(=S)(C)OC1=CC=C(C=C1)SC

InChI

InChI=1S/C10H15O2PS2/c1-4-11-13(2,14)12-9-5-7-10(15-3)8-6-9/h5-8H,4H2,1-3H3

InChIKey

LUCDVNXIIQYRLZ-UHFFFAOYSA-N

Compound name

ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 6
Patents: 262.02512 Da
Monoisotopic Mass: 3.7
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]+	263.03240	153.3
[M+Na]+	285.01434	163.9
[M+NH4]+	280.05894	161.7
[M+K]+	300.98828	154.5
[M-H]-	261.01784	154.8
[M+Na-2H]-	282.99979	157.9
[M]+	262.02457	156.2
[M]-	262.02567	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe