CID 94884

O,o,o-tributyl phosphorothioate

Structural Information

Molecular Formula

C₁₂H₂₇O₃PS

SMILES

CCCCOP(=S)(OCCCC)OCCCC

InChI

InChI=1S/C12H27O3PS/c1-4-7-10-13-16(17,14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3

InChIKey

PPEZWDDRWXDXOQ-UHFFFAOYSA-N

Compound name

tributoxy(sulfanylidene)-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1307
Patents: 282.14185 Da
Monoisotopic Mass: 5.0
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]+	283.14913	169.9
[M+Na]+	305.13107	174.5
[M-H]-	281.13457	168.1
[M+NH4]+	300.17567	187.2
[M+K]+	321.10501	172.7
[M+H-H2O]+	265.13911	161.5
[M+HCOO]-	327.14005	191.3
[M+CH3COO]-	341.15570	201.5
[M+Na-2H]-	303.11652	168.0
[M]+	282.14130	180.1
[M]-	282.14240	180.1

Literature stripe

literature stripe

Patent stripe

patents stripe