CID 210265

Brn 2164439

Structural Information

Molecular Formula
C12H17Cl2NO4S2
SMILES
C1=CC(=C(C=C1Cl)Cl)OCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C12H17Cl2NO4S2/c13-10-3-4-12(11(14)9-10)19-7-2-1-5-15-6-8-20-21(16,17)18/h3-4,9,15H,1-2,5-8H2,(H,16,17,18)
InChIKey
SGWQAAWVDXLXNE-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-[4-(2-sulfosulfanylethylamino)butoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.99762 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.00490 182.9
[M+Na]+ 395.98684 192.4
[M+NH4]+ 391.03144 189.1
[M+K]+ 411.96078 182.5
[M-H]- 371.99034 182.7
[M+Na-2H]- 393.97229 185.4
[M]+ 372.99707 185.5
[M]- 372.99817 185.5
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.