CID 107184

3874-64-4

Structural Information

Molecular Formula
C8H15O5PS
SMILES
CCOP(=O)(OCC)SC1CCOC1=O
InChI
InChI=1S/C8H15O5PS/c1-3-12-14(10,13-4-2)15-7-5-6-11-8(7)9/h7H,3-6H2,1-2H3
InChIKey
BLQMNYJYAOEOOF-UHFFFAOYSA-N
Compound name
3-diethoxyphosphorylsulfanyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03778 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04506 152.9
[M+Na]+ 277.02700 159.5
[M-H]- 253.03050 155.8
[M+NH4]+ 272.07160 171.4
[M+K]+ 293.00094 160.2
[M+H-H2O]+ 237.03504 145.7
[M+HCOO]- 299.03598 175.1
[M+CH3COO]- 313.05163 189.8
[M+Na-2H]- 275.01245 152.9
[M]+ 254.03723 159.9
[M]- 254.03833 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.