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 176.3
[M+Na]+ 426.94555 180.6
[M-H]- 402.94905 174.7
[M+NH4]+ 421.99015 187.3
[M+K]+ 442.91949 173.0
[M+H-H2O]+ 386.95359 163.2
[M+HCOO]- 448.95453 188.0
[M+CH3COO]- 462.97018 217.7
[M+Na-2H]- 424.93100 174.8
[M]+ 403.95578 179.0
[M]- 403.95688 179.0
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