CID 3049404

Brn 1823712

Structural Information

Molecular Formula
C10H5Cl3N4
SMILES
CC(C#N)(C#N)N=NC1=C(C=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl3N4/c1-10(4-14,5-15)17-16-9-7(12)2-6(11)3-8(9)13/h2-3H,1H3
InChIKey
HIKHZLUNHJRWNF-UHFFFAOYSA-N
Compound name
2-methyl-2-[(2,4,6-trichlorophenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.95798 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.965256 173.2
[M+Na]+ 308.947198 184.8
[M-H]- 284.950704 177.3
[M+NH4]+ 303.991803 185.1
[M+K]+ 324.921138 179.4
[M+H-H2O]+ 268.955240 160.0
[M+HCOO]- 330.956181 178.6
[M+CH3COO]- 344.971831 230.4
[M+Na-2H]- 306.932646 174.3
[M]+ 285.95743142 168.5
[M]- 285.95852858 168.5
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.