CID 213267

Bayer 51896

Structural Information

Molecular Formula
C9H10Cl3O2PS
SMILES
CCP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H10Cl3O2PS/c1-3-15(16,13-2)14-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3
InChIKey
NOSRKKNUNMLRBJ-UHFFFAOYSA-N
Compound name
ethyl-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.92047 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.92775 155.4
[M+Na]+ 340.90969 166.3
[M-H]- 316.91319 158.1
[M+NH4]+ 335.95429 173.3
[M+K]+ 356.88363 160.5
[M+H-H2O]+ 300.91773 150.8
[M+HCOO]- 362.91867 164.4
[M+CH3COO]- 376.93432 202.4
[M+Na-2H]- 338.89514 154.4
[M]+ 317.91992 164.0
[M]- 317.92102 164.0
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.