CID 3049428

Brn 0670613

Structural Information

Molecular Formula
C10H5Cl3N4
SMILES
CC1=C(C(=C(C=C1Cl)Cl)NN=C(C#N)C#N)Cl
InChI
InChI=1S/C10H5Cl3N4/c1-5-7(11)2-8(12)10(9(5)13)17-16-6(3-14)4-15/h2,17H,1H3
InChIKey
UTXVCFRCZBGIGL-UHFFFAOYSA-N
Compound name
2-[(2,4,6-trichloro-3-methylphenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.95798 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.965256 169.4
[M+Na]+ 308.947198 181.0
[M-H]- 284.950704 172.8
[M+NH4]+ 303.991803 181.1
[M+K]+ 324.921138 175.2
[M+H-H2O]+ 268.955240 156.8
[M+HCOO]- 330.956181 174.5
[M+CH3COO]- 344.971831 229.8
[M+Na-2H]- 306.932646 169.1
[M]+ 285.95743142 163.9
[M]- 285.95852858 163.9
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.