CID 200722

2591-74-4

Structural Information

Molecular Formula

C₉H₁₁Cl₃NO₂PS

SMILES

CCNP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C9H11Cl3NO2PS/c1-3-13-16(17,14-2)15-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3,(H,13,17)

InChIKey

FHADYQBDCIGGEE-UHFFFAOYSA-N

Compound name

N-[methoxy-(2,4,5-trichlorophenoxy)phosphinothioyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 332.93137 Da
Monoisotopic Mass: 4.9
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]+	333.938646	160.7
[M+Na]+	355.920588	170.6
[M-H]-	331.924094	163.1
[M+NH4]+	350.965193	177.5
[M+K]+	371.894528	164.6
[M+H-H2O]+	315.928630	155.7
[M+HCOO]-	377.929571	170.5
[M+CH3COO]-	391.945221	207.0
[M+Na-2H]-	353.906036	159.9
[M]+	332.93082142	168.5
[M]-	332.93191858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe