CID 30859

Chlorthiophos

Structural Information

Molecular Formula
C11H15Cl2O3PS2
SMILES
CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)SC)Cl
InChI
InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3
InChIKey
JAZJVWLGNLCNDD-UHFFFAOYSA-N
Compound name
(2,5-dichloro-4-methylsulfanylphenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4
References

3399
Patents

359.95773 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.965006 164.7
[M+Na]+ 382.946948 173.8
[M-H]- 358.950454 167.8
[M+NH4]+ 377.991553 180.8
[M+K]+ 398.920888 167.8
[M+H-H2O]+ 342.954990 158.6
[M+HCOO]- 404.955931 173.5
[M+CH3COO]- 418.971581 209.4
[M+Na-2H]- 380.932396 162.4
[M]+ 359.95718142 175.5
[M]- 359.95827858 175.5
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