CID 19905

((2,5-dichlorophenyl)azo)malononitrile

Structural Information

Molecular Formula
C9H4Cl2N4
SMILES
C1=CC(=C(C=C1Cl)N=NC(C#N)C#N)Cl
InChI
InChI=1S/C9H4Cl2N4/c10-6-1-2-8(11)9(3-6)15-14-7(4-12)5-13/h1-3,7H
InChIKey
SPFZHOYQGKCQMU-UHFFFAOYSA-N
Compound name
2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.98131 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98859 161.3
[M+Na]+ 260.97053 172.4
[M-H]- 236.97403 165.9
[M+NH4]+ 256.01513 174.2
[M+K]+ 276.94447 167.5
[M+H-H2O]+ 220.97857 147.1
[M+HCOO]- 282.97951 170.9
[M+CH3COO]- 296.99516 225.2
[M+Na-2H]- 258.95598 163.3
[M]+ 237.98076 156.0
[M]- 237.98186 156.0
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

patents stripe