CID 3049416

Brn 0657570

Structural Information

Molecular Formula
C10H6Br2N4
SMILES
CC1=CC(=C(C(=C1)Br)NN=C(C#N)C#N)Br
InChI
InChI=1S/C10H6Br2N4/c1-6-2-8(11)10(9(12)3-6)16-15-7(4-13)5-14/h2-3,16H,1H3
InChIKey
KGYPONFCRPPDEO-UHFFFAOYSA-N
Compound name
2-[(2,6-dibromo-4-methylphenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.89594 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.90322 142.9
[M+Na]+ 362.88516 153.9
[M-H]- 338.88866 145.0
[M+NH4]+ 357.92976 154.1
[M+K]+ 378.85910 140.5
[M+H-H2O]+ 322.89320 137.3
[M+HCOO]- 384.89414 158.1
[M+CH3COO]- 398.90979 234.4
[M+Na-2H]- 360.87061 146.4
[M]+ 339.89539 157.7
[M]- 339.89649 157.7
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.