CID 210366

S-2-((2-(p-chlorophenoxy)ethyl)amino)ethyl thiosulfate

Structural Information

Molecular Formula

C₁₀H₁₄ClNO₄S₂

SMILES

C1=CC(=CC=C1OCCNCCSS(=O)(=O)O)Cl

InChI

InChI=1S/C10H14ClNO4S2/c11-9-1-3-10(4-2-9)16-7-5-12-6-8-17-18(13,14)15/h1-4,12H,5-8H2,(H,13,14,15)

InChIKey

GPGZYKBETPWQBG-UHFFFAOYSA-N

Compound name

1-chloro-4-[2-(2-sulfosulfanylethylamino)ethoxy]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.00528 Da
Monoisotopic Mass: -0.9
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]+	312.012556	162.6
[M+Na]+	333.994498	169.6
[M-H]-	309.998004	164.4
[M+NH4]+	329.039103	177.6
[M+K]+	349.968438	163.2
[M+H-H2O]+	294.002540	157.4
[M+HCOO]-	356.003481	170.4
[M+CH3COO]-	370.019131	196.9
[M+Na-2H]-	331.979946	165.3
[M]+	311.00473142	168.7
[M]-	311.00582858	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.