CID 3059173

76203-96-8

Structural Information

Molecular Formula

C₉H₁₀Cl₃O₂PS

SMILES

CCOP(=S)(C)OC1=C(C=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C9H10Cl3O2PS/c1-3-13-15(2,16)14-9-7(11)4-6(10)5-8(9)12/h4-5H,3H2,1-2H3

InChIKey

JQQMCGBSCREMEE-UHFFFAOYSA-N

Compound name

ethoxy-methyl-sulfanylidene-(2,4,6-trichlorophenoxy)-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 317.92047 Da
Monoisotopic Mass: 5.3
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]+	318.927746	155.4
[M+Na]+	340.909688	166.3
[M-H]-	316.913194	158.1
[M+NH4]+	335.954293	173.3
[M+K]+	356.883628	160.5
[M+H-H2O]+	300.917730	150.8
[M+HCOO]-	362.918671	164.4
[M+CH3COO]-	376.934321	202.4
[M+Na-2H]-	338.895136	154.4
[M]+	317.91992142	164.0
[M]-	317.92101858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe