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]+ 286.96526 173.2
[M+Na]+ 308.94720 184.8
[M-H]- 284.95070 177.3
[M+NH4]+ 303.99180 185.1
[M+K]+ 324.92114 179.4
[M+H-H2O]+ 268.95524 160.0
[M+HCOO]- 330.95618 178.6
[M+CH3COO]- 344.97183 230.4
[M+Na-2H]- 306.93265 174.3
[M]+ 285.95743 168.5
[M]- 285.95853 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.