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

214
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

literature stripe

Patent stripe

patents stripe