CID 6453024

Dibenzyl hydrogen dithiophosphate

Structural Information

Molecular Formula

C₁₄H₁₅O₂PS₂

SMILES

C1=CC=C(C=C1)COP(=S)(O)SCC2=CC=CC=C2

InChI

InChI=1S/C14H15O2PS2/c15-17(18,16-11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,18)

InChIKey

OKYYRDLXAQOHGD-UHFFFAOYSA-N

Compound name

benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 38
Patents: 310.02512 Da
Monoisotopic Mass: 4.1
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]+	311.032396	164.0
[M+Na]+	333.014338	170.4
[M-H]-	309.017844	167.5
[M+NH4]+	328.058943	178.9
[M+K]+	348.988278	164.1
[M+H-H2O]+	293.022380	154.5
[M+HCOO]-	355.023321	181.3
[M+CH3COO]-	369.038971	198.3
[M+Na-2H]-	330.999786	164.0
[M]+	310.02457142	166.3
[M]-	310.02566858	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe