CID 19444

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

Structural Information

Molecular Formula
C16H10Cl2N4
SMILES
C1=CC(=CC(=C1)Cl)N=NC(C2=CC=C(C=C2)Cl)C(C#N)C#N
InChI
InChI=1S/C16H10Cl2N4/c17-13-6-4-11(5-7-13)16(12(9-19)10-20)22-21-15-3-1-2-14(18)8-15/h1-8,12,16H
InChIKey
ACHAQPBPMCQXFQ-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)-[(3-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]+ 329.035536 184.7
[M+Na]+ 351.017478 195.1
[M-H]- 327.020984 189.6
[M+NH4]+ 346.062083 194.7
[M+K]+ 366.991418 187.3
[M+H-H2O]+ 311.025520 168.9
[M+HCOO]- 373.026461 192.7
[M+CH3COO]- 387.042111 235.9
[M+Na-2H]- 349.002926 184.4
[M]+ 328.02771142 178.9
[M]- 328.02880858 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.