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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01256 166.3
[M+Na]+ 333.99450 175.4
[M+NH4]+ 329.03910 172.9
[M+K]+ 349.96844 166.5
[M-H]- 309.99800 166.4
[M+Na-2H]- 331.97995 169.6
[M]+ 311.00473 168.6
[M]- 311.00583 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.