CID 18680

O,o-dihexyl hydrogen dithiophosphate

Structural Information

Molecular Formula

C₁₂H₂₇O₂PS₂

SMILES

CCCCCCOP(=S)(OCCCCCC)S

InChI

InChI=1S/C12H27O2PS2/c1-3-5-7-9-11-13-15(16,17)14-12-10-8-6-4-2/h3-12H2,1-2H3,(H,16,17)

InChIKey

VFXJDWTUUZBKKT-UHFFFAOYSA-N

Compound name

dihexoxy-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1055
Patents: 298.11902 Da
Monoisotopic Mass: 6.3
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]+	299.12630	168.4
[M+Na]+	321.10824	175.2
[M+NH4]+	316.15284	175.1
[M+K]+	337.08218	165.7
[M-H]-	297.11174	166.8
[M+Na-2H]-	319.09369	168.2
[M]+	298.11847	169.7
[M]-	298.11957	169.7

Literature stripe

literature stripe

Patent stripe

patents stripe