CID 22353

((4-bromo-m-tolyl)azo)malononitrile

Structural Information

Molecular Formula
C10H7BrN4
SMILES
CC1=C(C=CC(=C1)N=NC(C#N)C#N)Br
InChI
InChI=1S/C10H7BrN4/c1-7-4-8(2-3-10(7)11)14-15-9(5-12)6-13/h2-4,9H,1H3
InChIKey
RDQHZSXAFHLNJO-UHFFFAOYSA-N
Compound name
2-[(4-bromo-3-methylphenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.9854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.992676 154.6
[M+Na]+ 284.974618 166.3
[M-H]- 260.978124 159.1
[M+NH4]+ 280.019223 168.0
[M+K]+ 300.948558 157.0
[M+H-H2O]+ 244.982660 142.3
[M+HCOO]- 306.983601 171.5
[M+CH3COO]- 320.999251 227.4
[M+Na-2H]- 282.960066 158.0
[M]+ 261.98485142 159.3
[M]- 261.98594858 159.3
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.