CID 217157

38188-83-9

Structural Information

Molecular Formula
C8H17O3PS3
SMILES
CCOP(=S)(OCC)SC1COCCS1
InChI
InChI=1S/C8H17O3PS3/c1-3-10-12(13,11-4-2)15-8-7-9-5-6-14-8/h8H,3-7H2,1-2H3
InChIKey
DSSLOYDITKYOCI-UHFFFAOYSA-N
Compound name
diethoxy-(1,4-oxathian-3-ylsulfanyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.00775 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.015026 155.3
[M+Na]+ 310.996968 159.4
[M-H]- 287.000474 156.2
[M+NH4]+ 306.041573 170.1
[M+K]+ 326.970908 156.2
[M+H-H2O]+ 271.005010 146.6
[M+HCOO]- 333.005951 164.3
[M+CH3COO]- 347.021601 196.0
[M+Na-2H]- 308.982416 153.8
[M]+ 288.00720142 156.5
[M]- 288.00829858 156.5
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.