CID 76813

3309-68-0

Structural Information

Molecular Formula
C8H19O2PS3
SMILES
CCCSCSP(=S)(OCC)OCC
InChI
InChI=1S/C8H19O2PS3/c1-4-7-13-8-14-11(12,9-5-2)10-6-3/h4-8H2,1-3H3
InChIKey
QOVQEVZZHCLMPY-UHFFFAOYSA-N
Compound name
diethoxy-(propylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.02847 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.035746 154.2
[M+Na]+ 297.017688 159.5
[M-H]- 273.021194 152.0
[M+NH4]+ 292.062293 171.1
[M+K]+ 312.991628 154.4
[M+H-H2O]+ 257.025730 145.3
[M+HCOO]- 319.026671 165.1
[M+CH3COO]- 333.042321 197.6
[M+Na-2H]- 295.003136 150.9
[M]+ 274.02792142 159.9
[M]- 274.02901858 159.9
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.