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]+ 309.09018 183.9
[M+Na]+ 331.07212 193.5
[M-H]- 307.07562 189.2
[M+NH4]+ 326.11672 194.1
[M+K]+ 347.04606 186.7
[M+H-H2O]+ 291.08016 167.2
[M+HCOO]- 353.08110 194.9
[M+CH3COO]- 367.09675 235.3
[M+Na-2H]- 329.05757 183.7
[M]+ 308.08235 177.3
[M]- 308.08345 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.