CID 201804

O-(2,4-dichlorophenyl) o-ethyl s-methyl phosphorothioate

Structural Information

Molecular Formula
C9H11Cl2O3PS
SMILES
CCOP(=O)(OC1=C(C=C(C=C1)Cl)Cl)SC
InChI
InChI=1S/C9H11Cl2O3PS/c1-3-13-15(12,16-2)14-9-5-4-7(10)6-8(9)11/h4-6H,3H2,1-2H3
InChIKey
IQDAQIBCVSYVOG-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-[ethoxy(methylsulfanyl)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.95435 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.961626 154.1
[M+Na]+ 322.943568 164.3
[M-H]- 298.947074 157.4
[M+NH4]+ 317.988173 172.4
[M+K]+ 338.917508 159.7
[M+H-H2O]+ 282.951610 148.3
[M+HCOO]- 344.952551 168.8
[M+CH3COO]- 358.968201 198.2
[M+Na-2H]- 320.929016 154.7
[M]+ 299.95380142 164.0
[M]- 299.95489858 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.