CID 22359

((2,4,6-tribromophenyl)azo)malononitrile

Structural Information

Molecular Formula
C9H3Br3N4
SMILES
C1=C(C=C(C(=C1Br)N=NC(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/h1-2,6H
InChIKey
GBBYEOCABKQYTL-UHFFFAOYSA-N
Compound name
2-[(2,4,6-tribromophenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

403.79077 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.79805 168.4
[M+Na]+ 426.77999 164.5
[M+NH4]+ 421.82459 167.9
[M+K]+ 442.75393 167.5
[M-H]- 402.78349 166.9
[M+Na-2H]- 424.76544 167.9
[M]+ 403.79022 167.0
[M]- 403.79132 167.0
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