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]+ 286.96526 169.4
[M+Na]+ 308.94720 181.0
[M-H]- 284.95070 172.8
[M+NH4]+ 303.99180 181.1
[M+K]+ 324.92114 175.2
[M+H-H2O]+ 268.95524 156.8
[M+HCOO]- 330.95618 174.5
[M+CH3COO]- 344.97183 229.8
[M+Na-2H]- 306.93265 169.1
[M]+ 285.95743 163.9
[M]- 285.95853 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.