CID 75262

Phosphorodithioic acid, o,o-dioctyl ester

Structural Information

Molecular Formula
C16H35O2PS2
SMILES
CCCCCCCCOP(=S)(OCCCCCCCC)S
InChI
InChI=1S/C16H35O2PS2/c1-3-5-7-9-11-13-15-17-19(20,21)18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,20,21)
InChIKey
ZUNYMXPJGBXUCI-UHFFFAOYSA-N
Compound name
dioctoxy-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1751
Patents

354.1816 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18888 185.3
[M+Na]+ 377.17082 187.9
[M-H]- 353.17432 182.4
[M+NH4]+ 372.21542 199.7
[M+K]+ 393.14476 183.0
[M+H-H2O]+ 337.17886 175.6
[M+HCOO]- 399.17980 199.7
[M+CH3COO]- 413.19545 215.6
[M+Na-2H]- 375.15627 179.7
[M]+ 354.18105 195.5
[M]- 354.18215 195.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe