CID 9299

Zytron

Structural Information

Molecular Formula

C₁₀H₁₄Cl₂NO₂PS

SMILES

CC(C)NP(=S)(OC)OC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H14Cl2NO2PS/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,13,17)

InChIKey

PJFGPJQBWSEWKX-UHFFFAOYSA-N

Compound name

N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 409
Patents: 312.986 Da
Monoisotopic Mass: 4.3
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]+	313.99328	160.2
[M+Na]+	335.97522	168.8
[M-H]-	311.97872	163.2
[M+NH4]+	331.01982	177.6
[M+K]+	351.94916	163.7
[M+H-H2O]+	295.98326	154.1
[M+HCOO]-	357.98420	174.3
[M+CH3COO]-	371.99985	204.7
[M+Na-2H]-	333.96067	159.4
[M]+	312.98545	167.7
[M]-	312.98655	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe