CID 76420

3031-21-8

Structural Information

Molecular Formula
C12H28O4P2S4
SMILES
CC(C)OP(=S)(OC(C)C)SSP(=S)(OC(C)C)OC(C)C
InChI
InChI=1S/C12H28O4P2S4/c1-9(2)13-17(19,14-10(3)4)21-22-18(20,15-11(5)6)16-12(7)8/h9-12H,1-8H3
InChIKey
YEOPWSIDXUQFJH-UHFFFAOYSA-N
Compound name
[di(propan-2-yloxy)phosphinothioyldisulfanyl]-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

426.03458 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.04186 183.2
[M+Na]+ 449.02380 183.1
[M-H]- 425.02730 177.7
[M+NH4]+ 444.06840 192.8
[M+K]+ 464.99774 177.6
[M+H-H2O]+ 409.03184 170.2
[M+HCOO]- 471.03278 188.4
[M+CH3COO]- 485.04843 225.9
[M+Na-2H]- 447.00925 177.5
[M]+ 426.03403 186.6
[M]- 426.03513 186.6
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.