CID 19445

(p-chlorobenzyl)((p-chlorophenyl)azo)malononitrile

Structural Information

Molecular Formula
C16H10Cl2N4
SMILES
C1=CC(=CC=C1C(C(C#N)C#N)N=NC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H10Cl2N4/c17-13-3-1-11(2-4-13)16(12(9-19)10-20)22-21-15-7-5-14(18)6-8-15/h1-8,12,16H
InChIKey
AZWDXLKWRGSEDS-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.02826 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.03554 184.7
[M+Na]+ 351.01748 195.1
[M-H]- 327.02098 189.6
[M+NH4]+ 346.06208 194.7
[M+K]+ 366.99142 187.3
[M+H-H2O]+ 311.02552 168.9
[M+HCOO]- 373.02646 192.7
[M+CH3COO]- 387.04211 235.9
[M+Na-2H]- 349.00293 184.4
[M]+ 328.02771 178.9
[M]- 328.02881 178.9
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.