CID 201152

3348-67-2

Structural Information

Molecular Formula
C6H16O6P2S
SMILES
CCOP(=O)(OCC)OP(=O)(OC)SC
InChI
InChI=1S/C6H16O6P2S/c1-5-10-13(7,11-6-2)12-14(8,9-3)15-4/h5-6H2,1-4H3
InChIKey
XUQMJWHBMXWRCI-UHFFFAOYSA-N
Compound name
diethyl [methoxy(methylsulfanyl)phosphoryl] phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.01428 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02156 157.4
[M+Na]+ 301.00350 163.9
[M-H]- 277.00700 155.6
[M+NH4]+ 296.04810 174.9
[M+K]+ 316.97744 164.8
[M+H-H2O]+ 261.01154 147.5
[M+HCOO]- 323.01248 185.6
[M+CH3COO]- 337.02813 196.3
[M+Na-2H]- 298.98895 158.6
[M]+ 278.01373 169.4
[M]- 278.01483 169.4
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.