CID 70550

1018-28-6

Structural Information

Molecular Formula
C9H19O2PS4
SMILES
CCOP(=S)(OCC)SCC1(SCCS1)C
InChI
InChI=1S/C9H19O2PS4/c1-4-10-12(13,11-5-2)16-8-9(3)14-6-7-15-9/h4-8H2,1-3H3
InChIKey
PBYOJMHVUCJVNU-UHFFFAOYSA-N
Compound name
diethoxy-[(2-methyl-1,3-dithiolan-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.00055 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.00783 162.9
[M+Na]+ 340.98977 168.1
[M-H]- 316.99327 162.0
[M+NH4]+ 336.03437 180.5
[M+K]+ 356.96371 161.9
[M+H-H2O]+ 300.99781 155.5
[M+HCOO]- 362.99875 167.7
[M+CH3COO]- 377.01440 202.1
[M+Na-2H]- 338.97522 161.0
[M]+ 318.00000 163.3
[M]- 318.00110 163.3
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

No patent data available for this compound.