CID 13435

((p-chlorophenyl)azo)malononitrile

Structural Information

Molecular Formula
C9H5ClN4
SMILES
C1=CC(=CC=C1N=NC(C#N)C#N)Cl
InChI
InChI=1S/C9H5ClN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,9H
InChIKey
VSRWRLJPOOTNFT-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.02028 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02756 170.7
[M+Na]+ 227.00950 179.5
[M+NH4]+ 222.05410 171.9
[M+K]+ 242.98344 168.3
[M-H]- 203.01300 162.1
[M+Na-2H]- 224.99495 171.0
[M]+ 204.01973 168.4
[M]- 204.02083 168.4
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