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 177.0
[M+Na]+ 283.09542 184.9
[M-H]- 259.09892 181.8
[M+NH4]+ 278.14002 187.2
[M+K]+ 299.06936 179.3
[M+H-H2O]+ 243.10346 159.3
[M+HCOO]- 305.10440 190.8
[M+CH3COO]- 319.12005 229.7
[M+Na-2H]- 281.08087 178.2
[M]+ 260.10565 167.9
[M]- 260.10675 167.9
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.