CID 22355

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

Structural Information

Molecular Formula
C11H9BrN4O
SMILES
CCOC1=CC(=C(C=C1)N=NC(C#N)C#N)Br
InChI
InChI=1S/C11H9BrN4O/c1-2-17-9-3-4-11(10(12)5-9)16-15-8(6-13)7-14/h3-5,8H,2H2,1H3
InChIKey
ZABALAFVWOCYIS-UHFFFAOYSA-N
Compound name
2-[(2-bromo-4-ethoxyphenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.99597 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.00325 158.0
[M+Na]+ 314.98519 169.3
[M-H]- 290.98869 162.3
[M+NH4]+ 310.02979 170.6
[M+K]+ 330.95913 160.3
[M+H-H2O]+ 274.99323 145.4
[M+HCOO]- 336.99417 174.9
[M+CH3COO]- 351.00982 230.4
[M+Na-2H]- 312.97064 161.2
[M]+ 291.99542 163.7
[M]- 291.99652 163.7
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.