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: 3734
Patents: 359.95773 Da
Monoisotopic Mass: 6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	360.96501	164.7
[M+Na]+	382.94695	173.8
[M-H]-	358.95045	167.8
[M+NH4]+	377.99155	180.8
[M+K]+	398.92089	167.8
[M+H-H2O]+	342.95499	158.6
[M+HCOO]-	404.95593	173.5
[M+CH3COO]-	418.97158	209.4
[M+Na-2H]-	380.93240	162.4
[M]+	359.95718	175.5
[M]-	359.95828	175.5

Literature stripe

literature stripe

Patent stripe

patents stripe