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

4
Annotation Hits: 0
References: 943
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]+	299.126296	168.3
[M+Na]+	321.108238	172.6
[M-H]-	297.111744	166.2
[M+NH4]+	316.152843	184.9
[M+K]+	337.082178	168.7
[M+H-H2O]+	281.116280	159.3
[M+HCOO]-	343.117221	183.9
[M+CH3COO]-	357.132871	204.0
[M+Na-2H]-	319.093686	164.3
[M]+	298.11847142	177.0
[M]-	298.11956858	177.0

Literature stripe

literature stripe

Patent stripe

patents stripe