CID 9574362

Nsc46500

Structural Information

Molecular Formula
C16H12Cl4N6
SMILES
C1=CC(=C(C=C1/C=N/N=C(\N)/C(=N/N=C/C2=CC(=C(C=C2)Cl)Cl)/N)Cl)Cl
InChI
InChI=1S/C16H12Cl4N6/c17-11-3-1-9(5-13(11)19)7-23-25-15(21)16(22)26-24-8-10-2-4-12(18)14(20)6-10/h1-8H,(H2,21,25)(H2,22,26)/b23-7+,24-8+
InChIKey
XGEHGWDFEFMGAJ-ZPNKGADNSA-N
Compound name
1-N',2-N'-bis[(E)-(3,4-dichlorophenyl)methylideneamino]ethanediimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.98776 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.99504 208.5
[M+Na]+ 450.97698 215.9
[M-H]- 426.98048 215.3
[M+NH4]+ 446.02158 220.1
[M+K]+ 466.95092 209.4
[M+H-H2O]+ 410.98502 201.7
[M+HCOO]- 472.98596 220.1
[M+CH3COO]- 487.00161 241.8
[M+Na-2H]- 448.96243 206.9
[M]+ 427.98721 210.6
[M]- 427.98831 210.6
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.