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 181.2
[M+Na]+ 317.05645 190.6
[M-H]- 293.05995 186.3
[M+NH4]+ 312.10105 191.5
[M+K]+ 333.03039 183.7
[M+H-H2O]+ 277.06449 164.4
[M+HCOO]- 339.06543 192.3
[M+CH3COO]- 353.08108 232.7
[M+Na-2H]- 315.04190 181.8
[M]+ 294.06668 174.1
[M]- 294.06778 174.1
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.