CID 129564

Diphenylphosphinodithioic acid

Structural Information

Molecular Formula

C₁₂H₁₁PS₂

SMILES

C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)S

InChI

InChI=1S/C12H11PS2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15)

InChIKey

CLUOCCWZZAGLPM-UHFFFAOYSA-N

Compound name

diphenyl-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 226
Patents: 250.00398 Da
Monoisotopic Mass: 4.7
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]+	251.01126	147.6
[M+Na]+	272.99320	155.9
[M-H]-	248.99670	153.2
[M+NH4]+	268.03780	165.9
[M+K]+	288.96714	150.0
[M+H-H2O]+	233.00124	138.6
[M+HCOO]-	295.00218	166.5
[M+CH3COO]-	309.01783	191.1
[M+Na-2H]-	270.97865	148.3
[M]+	250.00343	148.5
[M]-	250.00453	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe