CID 199150

Mk 85

Structural Information

Molecular Formula
C9H21O2PS3
SMILES
CCCSCCSP(=S)(OCC)OCC
InChI
InChI=1S/C9H21O2PS3/c1-4-7-14-8-9-15-12(13,10-5-2)11-6-3/h4-9H2,1-3H3
InChIKey
YPCCYQSGPMDACI-UHFFFAOYSA-N
Compound name
diethoxy-(2-propylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.04413 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.051406 158.3
[M+Na]+ 311.033348 163.2
[M-H]- 287.036854 155.8
[M+NH4]+ 306.077953 174.6
[M+K]+ 327.007288 157.8
[M+H-H2O]+ 271.041390 149.2
[M+HCOO]- 333.042331 168.8
[M+CH3COO]- 347.057981 200.4
[M+Na-2H]- 309.018796 154.6
[M]+ 288.04358142 164.3
[M]- 288.04467858 164.3
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.