CID 6483563

Schembl8376746

Structural Information

Molecular Formula
C12H10Cl2N2O4S4
SMILES
C1=CC(=C(C=C1Cl)S(=O)(=O)N)SSC2=C(C=C(C=C2)Cl)S(=O)(=O)N
InChI
InChI=1S/C12H10Cl2N2O4S4/c13-7-1-3-9(11(5-7)23(15,17)18)21-22-10-4-2-8(14)6-12(10)24(16,19)20/h1-6H,(H2,15,17,18)(H2,16,19,20)
InChIKey
XOEOOICVRQCXOT-UHFFFAOYSA-N
Compound name
5-chloro-2-[(4-chloro-2-sulfamoylphenyl)disulfanyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

443.89005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.89733 193.0
[M+Na]+ 466.87927 200.4
[M-H]- 442.88277 195.9
[M+NH4]+ 461.92387 201.8
[M+K]+ 482.85321 188.3
[M+H-H2O]+ 426.88731 188.3
[M+HCOO]- 488.88825 185.4
[M+CH3COO]- 502.90390 221.2
[M+Na-2H]- 464.86472 195.8
[M]+ 443.88950 192.9
[M]- 443.89060 192.9
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

patents stripe