CID 19435

Benzyl(phenylazo)malononitrile

Structural Information

Molecular Formula
C16H12N4
SMILES
C1=CC=C(C=C1)C(C(C#N)C#N)N=NC2=CC=CC=C2
InChI
InChI=1S/C16H12N4/c17-11-14(12-18)16(13-7-3-1-4-8-13)20-19-15-9-5-2-6-10-15/h1-10,14,16H
InChIKey
RROCVGOQYPOLIO-UHFFFAOYSA-N
Compound name
2-[phenyl(phenyldiazenyl)methyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1062 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11348 191.4
[M+Na]+ 283.09542 200.1
[M+NH4]+ 278.14002 192.1
[M+K]+ 299.06936 187.8
[M-H]- 259.09892 183.9
[M+Na-2H]- 281.08087 192.1
[M]+ 260.10565 189.3
[M]- 260.10675 189.3
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.