CID 6433292

Axiom

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

1
References

12
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 169.8
[M+Na]+ 396.93592 178.7
[M-H]- 372.93942 172.1
[M+NH4]+ 391.98052 185.3
[M+K]+ 412.90986 172.6
[M+H-H2O]+ 356.94396 164.6
[M+HCOO]- 418.94490 177.6
[M+CH3COO]- 432.96055 210.8
[M+Na-2H]- 394.92137 167.5
[M]+ 373.94615 179.4
[M]- 373.94725 179.4
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.