CID 19302

((p-chlorophenyl)azo)methylmalononitrile

Structural Information

Molecular Formula
C10H7ClN4
SMILES
C1=CC(=CC=C1N=NCC(C#N)C#N)Cl
InChI
InChI=1S/C10H7ClN4/c11-9-1-3-10(4-2-9)15-14-7-8(5-12)6-13/h1-4,8H,7H2
InChIKey
XECFVKJGHZEAIZ-UHFFFAOYSA-N
Compound name
2-[[(4-chlorophenyl)diazenyl]methyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03592 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04320 173.5
[M+Na]+ 241.02514 182.2
[M+NH4]+ 236.06974 174.6
[M+K]+ 256.99908 170.8
[M-H]- 217.02864 164.9
[M+Na-2H]- 239.01059 173.6
[M]+ 218.03537 171.2
[M]- 218.03647 171.2
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.