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
4
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 149.1
[M+Na]+ 308.92794 160.0
[M-H]- 284.93144 151.5
[M+NH4]+ 303.97254 167.5
[M+K]+ 324.90188 154.8
[M+H-H2O]+ 268.93598 144.1
[M+HCOO]- 330.93692 162.6
[M+CH3COO]- 344.95257 193.9
[M+Na-2H]- 306.91339 149.2
[M]+ 285.93817 157.1
[M]- 285.93927 157.1
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

No patent data available for this compound.