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 125.7
[M+Na]+ 426.77999 134.3
[M-H]- 402.78349 125.9
[M+NH4]+ 421.82459 134.3
[M+K]+ 442.75393 121.0
[M+H-H2O]+ 386.78803 127.1
[M+HCOO]- 448.78897 138.4
[M+CH3COO]- 462.80462 241.2
[M+Na-2H]- 424.76544 129.7
[M]+ 403.79022 146.7
[M]- 403.79132 146.7
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

patents stripe