CID 22062722

Zinc dihexyldithiophosphate

Structural Information

Molecular Formula

C₁₂H₂₇O₂PS₂

SMILES

CCCCCCOP(=S)(O)SCCCCCC

InChI

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

InChIKey

DVQBUCQFLUNZHZ-UHFFFAOYSA-N

Compound name

hexoxy-hexylsulfanyl-hydroxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 145
Patents: 298.11902 Da
Monoisotopic Mass: 5.8
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	168.6
[M+Na]+	321.108238	172.4
[M-H]-	297.111744	165.0
[M+NH4]+	316.152843	184.4
[M+K]+	337.082178	167.5
[M+H-H2O]+	281.116280	159.9
[M+HCOO]-	343.117221	182.7
[M+CH3COO]-	357.132871	201.3
[M+Na-2H]-	319.093686	164.2
[M]+	298.11847142	175.4
[M]-	298.11956858	175.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe