CID 3035183

35944-83-3

Structural Information

Molecular Formula

C₉H₁₁Cl₃NO₂PS

SMILES

CC(C)NP(=S)(O)OC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C9H11Cl3NO2PS/c1-5(2)13-16(14,17)15-9-4-7(11)6(10)3-8(9)12/h3-5H,1-2H3,(H2,13,14,17)

InChIKey

IFPRLVXXXTYJQS-UHFFFAOYSA-N

Compound name

N-[hydroxy-(2,4,5-trichlorophenoxy)phosphinothioyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	159.3
[M+Na]+	355.920588	168.4
[M-H]-	331.924094	160.5
[M+NH4]+	350.965193	175.4
[M+K]+	371.894528	162.2
[M+H-H2O]+	315.928630	155.0
[M+HCOO]-	377.929571	166.8
[M+CH3COO]-	391.945221	205.4
[M+Na-2H]-	353.906036	157.4
[M]+	332.93082142	164.9
[M]-	332.93191858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.