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]+ 261.113476 177.0
[M+Na]+ 283.095418 184.9
[M-H]- 259.098924 181.8
[M+NH4]+ 278.140023 187.2
[M+K]+ 299.069358 179.3
[M+H-H2O]+ 243.103460 159.3
[M+HCOO]- 305.104401 190.8
[M+CH3COO]- 319.120051 229.7
[M+Na-2H]- 281.080866 178.2
[M]+ 260.10565142 167.9
[M]- 260.10674858 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.