CID 16047442

Kc7f2

Structural Information

Molecular Formula
C16H16Cl4N2O4S4
SMILES
C1=CC(=C(C=C1Cl)S(=O)(=O)NCCSSCCNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)Cl
InChI
InChI=1S/C16H16Cl4N2O4S4/c17-11-1-3-13(19)15(9-11)29(23,24)21-5-7-27-28-8-6-22-30(25,26)16-10-12(18)2-4-14(16)20/h1-4,9-10,21-22H,5-8H2
InChIKey
REQLACDIZMLXIC-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-[2-[2-[(2,5-dichlorophenyl)sulfonylamino]ethyldisulfanyl]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

567.8747 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.88198 212.5
[M+Na]+ 590.86392 216.8
[M-H]- 566.86742 214.7
[M+NH4]+ 585.90852 217.8
[M+K]+ 606.83786 206.5
[M+H-H2O]+ 550.87196 209.5
[M+HCOO]- 612.87290 196.8
[M+CH3COO]- 626.88855 239.3
[M+Na-2H]- 588.84937 214.2
[M]+ 567.87415 214.5
[M]- 567.87525 214.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe