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]+ 289.05141 158.3
[M+Na]+ 311.03335 163.2
[M-H]- 287.03685 155.8
[M+NH4]+ 306.07795 174.6
[M+K]+ 327.00729 157.8
[M+H-H2O]+ 271.04139 149.2
[M+HCOO]- 333.04233 168.8
[M+CH3COO]- 347.05798 200.4
[M+Na-2H]- 309.01880 154.6
[M]+ 288.04358 164.3
[M]- 288.04468 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.