CID 3039388

Phenylphosphonodithious acid dipropyl ester

Structural Information

Molecular Formula

C₁₂H₁₉PS₂

SMILES

CCCSP(C1=CC=CC=C1)SCCC

InChI

InChI=1S/C12H19PS2/c1-3-10-14-13(15-11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3

InChIKey

CZWNDMHKCMXBQR-UHFFFAOYSA-N

Compound name

phenyl-bis(propylsulfanyl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.0666 Da
Monoisotopic Mass: 4.2
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]+	259.07388	152.3
[M+Na]+	281.05582	157.9
[M-H]-	257.05932	154.0
[M+NH4]+	276.10042	170.5
[M+K]+	297.02976	153.3
[M+H-H2O]+	241.06386	143.2
[M+HCOO]-	303.06480	169.6
[M+CH3COO]-	317.08045	196.8
[M+Na-2H]-	279.04127	148.7
[M]+	258.06605	156.5
[M]-	258.06715	156.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.