CID 9574934

Bis-(2,4-dichlorobenzal)-5,5'-dichlorodithiosalicylhydrazide

Structural Information

Molecular Formula
C28H16Cl6N4O2S2
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=N/NC(=O)C2=C(C=CC(=C2)Cl)SSC3=C(C=C(C=C3)Cl)C(=O)N/N=C/C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C28H16Cl6N4O2S2/c29-17-5-7-25(21(9-17)27(39)37-35-13-15-1-3-19(31)11-23(15)33)41-42-26-8-6-18(30)10-22(26)28(40)38-36-14-16-2-4-20(32)12-24(16)34/h1-14H,(H,37,39)(H,38,40)/b35-13+,36-14+
InChIKey
QRGQJPQMWNKLMT-UUCTZZFFSA-N
Compound name
5-chloro-2-[[4-chloro-2-[[(E)-(2,4-dichlorophenyl)methylideneamino]carbamoyl]phenyl]disulfanyl]-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

713.8846 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 714.89188 242.1
[M+Na]+ 736.87382 246.8
[M-H]- 712.87732 248.0
[M+NH4]+ 731.91842 243.3
[M+K]+ 752.84776 241.9
[M+H-H2O]+ 696.88186 236.4
[M+HCOO]- 758.88280 230.6
[M+CH3COO]- 772.89845 243.7
[M+Na-2H]- 734.85927 236.4
[M]+ 713.88405 246.9
[M]- 713.88515 246.9
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

No patent data available for this compound.