CID 19443

(p-chlorobenzyl)(p-tolylazo)malononitrile

Structural Information

Molecular Formula
C17H13ClN4
SMILES
CC1=CC=C(C=C1)N=NC(C2=CC=C(C=C2)Cl)C(C#N)C#N
InChI
InChI=1S/C17H13ClN4/c1-12-2-8-16(9-3-12)21-22-17(14(10-19)11-20)13-4-6-15(18)7-5-13/h2-9,14,17H,1H3
InChIKey
UGCOUHYWUJFELW-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)-[(4-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]+ 309.090176 183.9
[M+Na]+ 331.072118 193.5
[M-H]- 307.075624 189.2
[M+NH4]+ 326.116723 194.1
[M+K]+ 347.046058 186.7
[M+H-H2O]+ 291.080160 167.2
[M+HCOO]- 353.081101 194.9
[M+CH3COO]- 367.096751 235.3
[M+Na-2H]- 329.057566 183.7
[M]+ 308.08235142 177.3
[M]- 308.08344858 177.3
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.