CID 475366

[(diethoxythioxophosphino)methyl]ethoxyphenylphosphino-1-thione

Structural Information

Molecular Formula
C13H22O3P2S2
SMILES
CCOP(=S)(CP(=S)(OCC)OCC)C1=CC=CC=C1
InChI
InChI=1S/C13H22O3P2S2/c1-4-14-17(19,13-10-8-7-9-11-13)12-18(20,15-5-2)16-6-3/h7-11H,4-6,12H2,1-3H3
InChIKey
UWVCDOMRAASIKE-UHFFFAOYSA-N
Compound name
diethoxy-[[ethoxy(phenyl)phosphinothioyl]methyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.04855 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05583 175.6
[M+Na]+ 375.03777 180.5
[M-H]- 351.04127 175.9
[M+NH4]+ 370.08237 190.1
[M+K]+ 391.01171 176.4
[M+H-H2O]+ 335.04581 163.4
[M+HCOO]- 397.04675 197.5
[M+CH3COO]- 411.06240 210.7
[M+Na-2H]- 373.02322 172.9
[M]+ 352.04800 182.7
[M]- 352.04910 182.7
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

No patent data available for this compound.