CID 77714

4090-51-1

Structural Information

Molecular Formula
C10H20O5P2S2
SMILES
CC1(COP(=S)(OC1)OP2(=S)OCC(CO2)(C)C)C
InChI
InChI=1S/C10H20O5P2S2/c1-9(2)5-11-16(18,12-6-9)15-17(19)13-7-10(3,4)8-14-17/h5-8H2,1-4H3
InChIKey
GAUFKBQSTGCCOC-UHFFFAOYSA-N
Compound name
2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
Patents

346.02274 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03002 157.6
[M+Na]+ 369.01196 165.3
[M+NH4]+ 364.05656 169.0
[M+K]+ 384.98590 153.6
[M-H]- 345.01546 163.4
[M+Na-2H]- 366.99741 165.1
[M]+ 346.02219 161.7
[M]- 346.02329 161.7
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

patents stripe