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

89
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 154.1
[M+Na]+ 369.01196 159.9
[M-H]- 345.01546 159.6
[M+NH4]+ 364.05656 170.9
[M+K]+ 384.98590 164.1
[M+H-H2O]+ 329.02000 146.4
[M+HCOO]- 391.02094 170.8
[M+CH3COO]- 405.03659 206.0
[M+Na-2H]- 366.99741 159.0
[M]+ 346.02219 158.0
[M]- 346.02329 158.0
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