CID 471618

5,5'-dibromodithiosalicylhydrazide

Structural Information

Molecular Formula
C14H12Br2N4O2S2
SMILES
C1=CC(=C(C=C1Br)C(=O)NN)SSC2=C(C=C(C=C2)Br)C(=O)NN
InChI
InChI=1S/C14H12Br2N4O2S2/c15-7-1-3-11(9(5-7)13(21)19-17)23-24-12-4-2-8(16)6-10(12)14(22)20-18/h1-6H,17-18H2,(H,19,21)(H,20,22)
InChIKey
SCELKELIJAGHCL-UHFFFAOYSA-N
Compound name
5-bromo-2-[[4-bromo-2-(hydrazinecarbonyl)phenyl]disulfanyl]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.87683 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.88411 153.4
[M+Na]+ 512.86605 161.1
[M-H]- 488.86955 160.1
[M+NH4]+ 507.91065 164.9
[M+K]+ 528.83999 141.0
[M+H-H2O]+ 472.87409 156.7
[M+HCOO]- 534.87503 161.6
[M+CH3COO]- 548.89068 234.0
[M+Na-2H]- 510.85150 157.1
[M]+ 489.87628 184.8
[M]- 489.87738 184.8
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.