CID 101129245

3506-28-3

Structural Information

Molecular Formula
C11H15Cl2O3PS2
SMILES
CCOP(=S)(OCC)OC1=CC(=C(C(=C1)Cl)SC)Cl
InChI
InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-8-6-9(12)11(19-3)10(13)7-8/h6-7H,4-5H2,1-3H3
InChIKey
RZFWTHNRTVWYME-UHFFFAOYSA-N
Compound name
(3,5-dichloro-4-methylsulfanylphenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.95773 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.96501 164.7
[M+Na]+ 382.94695 173.8
[M-H]- 358.95045 167.8
[M+NH4]+ 377.99155 180.8
[M+K]+ 398.92089 167.8
[M+H-H2O]+ 342.95499 158.6
[M+HCOO]- 404.95593 173.5
[M+CH3COO]- 418.97158 209.4
[M+Na-2H]- 380.93240 162.4
[M]+ 359.95718 175.5
[M]- 359.95828 175.5
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

No patent data available for this compound.