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]+ 279.021556 157.4
[M+Na]+ 301.003498 163.9
[M-H]- 277.007004 155.6
[M+NH4]+ 296.048103 174.9
[M+K]+ 316.977438 164.8
[M+H-H2O]+ 261.011540 147.5
[M+HCOO]- 323.012481 185.6
[M+CH3COO]- 337.028131 196.3
[M+Na-2H]- 298.988946 158.6
[M]+ 278.01373142 169.4
[M]- 278.01482858 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.