CID 35228

Dibutyl dithiophosphate

Structural Information

Molecular Formula

C₈H₁₉O₂PS₂

SMILES

CCCCOP(=S)(OCCCC)S

InChI

InChI=1S/C8H19O2PS2/c1-3-5-7-9-11(12,13)10-8-6-4-2/h3-8H2,1-2H3,(H,12,13)

InChIKey

XPRULOZMJZDZEF-UHFFFAOYSA-N

Compound name

dibutoxy-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 1793
Patents: 242.05641 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]+	243.063686	151.0
[M+Na]+	265.045628	156.9
[M-H]-	241.049134	149.6
[M+NH4]+	260.090233	169.8
[M+K]+	281.019568	154.0
[M+H-H2O]+	225.053670	142.8
[M+HCOO]-	287.054611	167.8
[M+CH3COO]-	301.070261	192.2
[M+Na-2H]-	263.031076	148.7
[M]+	242.05586142	158.3
[M]-	242.05695858	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe