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]+ 300.96163 154.1
[M+Na]+ 322.94357 164.3
[M-H]- 298.94707 157.4
[M+NH4]+ 317.98817 172.4
[M+K]+ 338.91751 159.7
[M+H-H2O]+ 282.95161 148.3
[M+HCOO]- 344.95255 168.8
[M+CH3COO]- 358.96820 198.2
[M+Na-2H]- 320.92902 154.7
[M]+ 299.95380 164.0
[M]- 299.95490 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.