CID 9477

Trichloronat

Structural Information

Molecular Formula

C₁₀H₁₂Cl₃O₂PS

SMILES

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

InChI

InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3

InChIKey

ANIAQSUBRGXWLS-UHFFFAOYSA-N

Compound name

ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 13
References: 6420
Patents: 331.93613 Da
Monoisotopic Mass: 5.2
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]+	332.943406	159.9
[M+Na]+	354.925348	170.4
[M-H]-	330.928854	162.5
[M+NH4]+	349.969953	177.3
[M+K]+	370.899288	164.4
[M+H-H2O]+	314.933390	155.2
[M+HCOO]-	376.934331	168.6
[M+CH3COO]-	390.949981	205.2
[M+Na-2H]-	352.910796	158.4
[M]+	331.93558142	168.9
[M]-	331.93667858	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe