CID 22164564

Zinc, bis[o,o-bis(2-methylheptyl) phosphorodithioato-.kappa.s,.kappa.s']-, (t-4)-

Structural Information

Molecular Formula
C16H35O2PS2
SMILES
CCCCCC(C)COP(=S)(OCC(C)CCCCC)S
InChI
InChI=1S/C16H35O2PS2/c1-5-7-9-11-15(3)13-17-19(20,21)18-14-16(4)12-10-8-6-2/h15-16H,5-14H2,1-4H3,(H,20,21)
InChIKey
CQXDKJPYPVZDTR-UHFFFAOYSA-N
Compound name
bis(2-methylheptoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

354.1816 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18888 185.7
[M+Na]+ 377.17082 187.7
[M-H]- 353.17432 182.9
[M+NH4]+ 372.21542 199.9
[M+K]+ 393.14476 183.8
[M+H-H2O]+ 337.17886 176.2
[M+HCOO]- 399.17980 197.9
[M+CH3COO]- 413.19545 217.0
[M+Na-2H]- 375.15627 178.2
[M]+ 354.18105 194.8
[M]- 354.18215 194.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe