CID 76025

Shell sd 7,438

Structural Information

Molecular Formula
C11H18O4P2S4
SMILES
COP(=S)(OC)SCC1=CC=C(C=C1)SP(=S)(OC)OC
InChI
InChI=1S/C11H18O4P2S4/c1-12-16(18,13-2)20-9-10-5-7-11(8-6-10)21-17(19,14-3)15-4/h5-8H,9H2,1-4H3
InChIKey
LHYALRHWTJKPFK-UHFFFAOYSA-N
Compound name
[4-(dimethoxyphosphinothioylsulfanylmethyl)phenyl]sulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

403.95633 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.96361 169.3
[M+Na]+ 426.94555 175.5
[M+NH4]+ 421.99015 175.3
[M+K]+ 442.91949 166.4
[M-H]- 402.94905 168.7
[M+Na-2H]- 424.93100 170.7
[M]+ 403.95578 171.5
[M]- 403.95688 171.5
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