CID 174594

O-methyl o-(2,3,6-trichlorophenyl) phenylphosphonothioate

Structural Information

Molecular Formula
C13H10Cl3O2PS
SMILES
COP(=S)(C1=CC=CC=C1)OC2=C(C=CC(=C2Cl)Cl)Cl
InChI
InChI=1S/C13H10Cl3O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-11(15)8-7-10(14)12(13)16/h2-8H,1H3
InChIKey
HYYVUXFAXZOFBQ-UHFFFAOYSA-N
Compound name
methoxy-phenyl-sulfanylidene-(2,3,6-trichlorophenoxy)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.92047 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.92775 167.6
[M+Na]+ 388.90969 178.4
[M-H]- 364.91319 173.1
[M+NH4]+ 383.95429 183.3
[M+K]+ 404.88363 171.7
[M+H-H2O]+ 348.91773 161.2
[M+HCOO]- 410.91867 176.8
[M+CH3COO]- 424.93432 209.5
[M+Na-2H]- 386.89514 166.9
[M]+ 365.91992 175.6
[M]- 365.92102 175.6
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.