CID 3049414

Propanedinitrile, ((2,4,6-tribromophenyl)hydrazono)-

Structural Information

Molecular Formula
C9H3Br3N4
SMILES
C1=C(C=C(C(=C1Br)NN=C(C#N)C#N)Br)Br
InChI
InChI=1S/C9H3Br3N4/c10-5-1-7(11)9(8(12)2-5)16-15-6(3-13)4-14/h1-2,16H
InChIKey
KKBXYAFFLPNYFZ-UHFFFAOYSA-N
Compound name
2-[(2,4,6-tribromophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

403.79077 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.79805 169.1
[M+Na]+ 426.77999 165.1
[M+NH4]+ 421.82459 168.5
[M+K]+ 442.75393 168.1
[M-H]- 402.78349 167.5
[M+Na-2H]- 424.76544 168.5
[M]+ 403.79022 167.6
[M]- 403.79132 167.6
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

patents stripe