CID 7328

Dichlofenthion

Structural Information

Molecular Formula
C10H13Cl2O3PS
SMILES
CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3
InChIKey
WGOWCPGHOCIHBW-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

8
References

14400
Patents

313.97 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.977276 158.7
[M+Na]+ 336.959218 168.5
[M-H]- 312.962724 161.9
[M+NH4]+ 332.003823 176.5
[M+K]+ 352.933158 163.6
[M+H-H2O]+ 296.967260 152.7
[M+HCOO]- 358.968201 173.2
[M+CH3COO]- 372.983851 201.1
[M+Na-2H]- 334.944666 158.8
[M]+ 313.96945142 169.0
[M]- 313.97054858 169.0
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

patents stripe