CID 91664

Tolclofos-methyl

Structural Information

Molecular Formula

C₉H₁₁Cl₂O₃PS

SMILES

CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl

InChI

InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3

InChIKey

OBZIQQJJIKNWNO-UHFFFAOYSA-N

Compound name

(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 22
References: 36620
Patents: 299.95435 Da
Monoisotopic Mass: 4.7
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]+	300.961626	153.3
[M+Na]+	322.943568	164.2
[M-H]-	298.947074	157.0
[M+NH4]+	317.988173	171.9
[M+K]+	338.917508	159.7
[M+H-H2O]+	282.951610	147.7
[M+HCOO]-	344.952551	168.0
[M+CH3COO]-	358.968201	199.3
[M+Na-2H]-	320.929016	153.3
[M]+	299.95380142	163.5
[M]-	299.95489858	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe