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
3
Annotation Hits

0
References

1677
Patents

354.1816 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.188876 185.3
[M+Na]+ 377.170818 187.9
[M-H]- 353.174324 182.4
[M+NH4]+ 372.215423 199.7
[M+K]+ 393.144758 183.0
[M+H-H2O]+ 337.178860 175.6
[M+HCOO]- 399.179801 199.7
[M+CH3COO]- 413.195451 215.6
[M+Na-2H]- 375.156266 179.7
[M]+ 354.18105142 195.5
[M]- 354.18214858 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