CID 17612

Bay 29952

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

7
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	151.9
[M+Na]+	285.01434	159.6
[M-H]-	261.01784	154.3
[M+NH4]+	280.05894	170.1
[M+K]+	300.98828	155.7
[M+H-H2O]+	245.02238	143.3
[M+HCOO]-	307.02332	170.1
[M+CH3COO]-	321.03897	194.5
[M+Na-2H]-	282.99979	150.9
[M]+	262.02457	157.8
[M]-	262.02567	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe