CID 6433255

Shell sd-8803

Structural Information

Molecular Formula
C12H14Cl3O3PS
SMILES
CCOP(=S)(OCC)O/C(=C\Cl)/C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H14Cl3O3PS/c1-3-16-19(20,17-4-2)18-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-
InChIKey
COBDTFDDPRCJJX-WQLSENKSSA-N
Compound name
[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.9467 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.95398 179.3
[M+Na]+ 396.93592 191.2
[M+NH4]+ 391.98052 186.2
[M+K]+ 412.90986 182.3
[M-H]- 372.93942 179.1
[M+Na-2H]- 394.92137 182.8
[M]+ 373.94615 182.1
[M]- 373.94725 182.1
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.