CID 471621

3,5-dichloro-2-[[2,4-dichloro-6-(hydrazinecarbonyl)phenyl]disulfanyl]benzohydrazide

Structural Information

Molecular Formula
C14H10Cl4N4O2S2
SMILES
C1=C(C=C(C(=C1C(=O)NN)SSC2=C(C=C(C=C2Cl)Cl)C(=O)NN)Cl)Cl
InChI
InChI=1S/C14H10Cl4N4O2S2/c15-5-1-7(13(23)21-19)11(9(17)3-5)25-26-12-8(14(24)22-20)2-6(16)4-10(12)18/h1-4H,19-20H2,(H,21,23)(H,22,24)
InChIKey
CNHBQIAKVHQKGL-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-[[2,4-dichloro-6-(hydrazinecarbonyl)phenyl]disulfanyl]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.89993 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.90721 191.4
[M+Na]+ 492.88915 198.2
[M-H]- 468.89265 194.6
[M+NH4]+ 487.93375 200.6
[M+K]+ 508.86309 190.5
[M+H-H2O]+ 452.89719 188.9
[M+HCOO]- 514.89813 186.7
[M+CH3COO]- 528.91378 234.9
[M+Na-2H]- 490.87460 187.6
[M]+ 469.89938 193.9
[M]- 469.90048 193.9
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.