CID 116444

Geigy g-35157

Structural Information

Molecular Formula
C9H11Cl2O2PS3
SMILES
COP(=S)(OC)SCSC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C9H11Cl2O2PS3/c1-12-14(15,13-2)17-6-16-9-4-7(10)3-8(11)5-9/h3-5H,6H2,1-2H3
InChIKey
UKAXMISVVBWCBQ-UHFFFAOYSA-N
Compound name
(3,5-dichlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.9036 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.91088 168.9
[M+Na]+ 370.89282 179.9
[M+NH4]+ 365.93742 177.3
[M+K]+ 386.86676 168.1
[M-H]- 346.89632 170.2
[M+Na-2H]- 368.87827 171.9
[M]+ 347.90305 172.7
[M]- 347.90415 172.7
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.