CID 82418

O,o-dibutyl hydrogen thiophosphate

Structural Information

Molecular Formula

C₈H₁₉O₃PS

SMILES

CCCCOP(=S)(O)OCCCC

InChI

InChI=1S/C8H19O3PS/c1-3-5-7-10-12(9,13)11-8-6-4-2/h3-8H2,1-2H3,(H,9,13)

InChIKey

CCLBBCBPHBBKKD-UHFFFAOYSA-N

Compound name

dibutoxy-hydroxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 310
Patents: 226.07925 Da
Monoisotopic Mass: 3.2
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]+	227.08653	151.5
[M+Na]+	249.06847	158.9
[M+NH4]+	244.11307	157.7
[M+K]+	265.04241	152.6
[M-H]-	225.07197	148.8
[M+Na-2H]-	247.05392	152.0
[M]+	226.07870	151.9
[M]-	226.07980	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe