CID 19440

Benzyl((m-chlorophenyl)azo)malononitrile

Structural Information

Molecular Formula
C16H11ClN4
SMILES
C1=CC=C(C=C1)C(C(C#N)C#N)N=NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H11ClN4/c17-14-7-4-8-15(9-14)20-21-16(13(10-18)11-19)12-5-2-1-3-6-12/h1-9,13,16H
InChIKey
QYPXTSSAXUMJFH-UHFFFAOYSA-N
Compound name
2-[[(3-chlorophenyl)diazenyl]-phenylmethyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.06723 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07451 191.7
[M+Na]+ 317.05645 201.1
[M+NH4]+ 312.10105 192.7
[M+K]+ 333.03039 188.7
[M-H]- 293.05995 184.4
[M+Na-2H]- 315.04190 192.6
[M]+ 294.06668 190.0
[M]- 294.06778 190.0
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.