CID 9477

Trichloronat

Structural Information

Molecular Formula
C10H12Cl3O2PS
SMILES
CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3
InChIKey
ANIAQSUBRGXWLS-UHFFFAOYSA-N
Compound name
ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

13
References

5788
Patents

331.93613 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.94341 169.7
[M+Na]+ 354.92535 183.0
[M+NH4]+ 349.96995 177.7
[M+K]+ 370.89929 173.5
[M-H]- 330.92885 170.4
[M+Na-2H]- 352.91080 174.1
[M]+ 331.93558 173.1
[M]- 331.93668 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe