CID 22357

((4-bromo-2-chlorophenyl)azo)malononitrile

Structural Information

Molecular Formula
C9H4BrClN4
SMILES
C1=CC(=C(C=C1Br)Cl)N=NC(C#N)C#N
InChI
InChI=1S/C9H4BrClN4/c10-6-1-2-9(8(11)3-6)15-14-7(4-12)5-13/h1-3,7H
InChIKey
VEOBSOXDWXSQIL-UHFFFAOYSA-N
Compound name
2-[(4-bromo-2-chlorophenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.9308 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.93808 156.4
[M+Na]+ 304.92002 169.4
[M-H]- 280.92352 161.0
[M+NH4]+ 299.96462 169.9
[M+K]+ 320.89396 158.6
[M+H-H2O]+ 264.92806 144.9
[M+HCOO]- 326.92900 170.8
[M+CH3COO]- 340.94465 227.8
[M+Na-2H]- 302.90547 159.9
[M]+ 281.93025 162.2
[M]- 281.93135 162.2
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.