CID 85894670

O-2,6-dichloro-p-tolyl o-hydrogen o-methyl phosphorothioate

Structural Information

Molecular Formula
C8H9Cl2O3PS
SMILES
CC1=CC(=C(C(=C1)Cl)OP(=S)(O)OC)Cl
InChI
InChI=1S/C8H9Cl2O3PS/c1-5-3-6(9)8(7(10)4-5)13-14(11,15)12-2/h3-4H,1-2H3,(H,11,15)
InChIKey
QKWHUGKNSDMJIQ-UHFFFAOYSA-N
Compound name
(2,6-dichloro-4-methylphenoxy)-hydroxy-methoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

285.93872 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.94600 156.4
[M+Na]+ 308.92794 169.1
[M+NH4]+ 303.97254 164.1
[M+K]+ 324.90188 161.4
[M-H]- 284.93144 156.6
[M+Na-2H]- 306.91339 160.8
[M]+ 285.93817 159.2
[M]- 285.93927 159.2
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

No patent data available for this compound.