CID 19442

(p-chlorobenzyl)(m-tolylazo)malononitrile

Structural Information

Molecular Formula
C17H13ClN4
SMILES
CC1=CC(=CC=C1)N=NC(C2=CC=C(C=C2)Cl)C(C#N)C#N
InChI
InChI=1S/C17H13ClN4/c1-12-3-2-4-16(9-12)21-22-17(14(10-19)11-20)13-5-7-15(18)8-6-13/h2-9,14,17H,1H3
InChIKey
CVSWGQXLEKHWTF-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)-[(3-methylphenyl)diazenyl]methyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0829 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09018 192.9
[M+Na]+ 331.07212 202.5
[M+NH4]+ 326.11672 193.9
[M+K]+ 347.04606 190.1
[M-H]- 307.07562 185.7
[M+Na-2H]- 329.05757 193.7
[M]+ 308.08235 191.3
[M]- 308.08345 191.3
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.