CID 22164564

92379-51-6

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 184.3
[M+Na]+ 377.17082 189.6
[M+NH4]+ 372.21542 190.1
[M+K]+ 393.14476 180.9
[M-H]- 353.17432 182.1
[M+Na-2H]- 375.15627 182.8
[M]+ 354.18105 185.1
[M]- 354.18215 185.1
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