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

2
Patents

204.02028 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.027556 157.2
[M+Na]+ 227.009498 167.2
[M-H]- 203.013004 161.9
[M+NH4]+ 222.054103 170.4
[M+K]+ 242.983438 163.4
[M+H-H2O]+ 187.017540 141.9
[M+HCOO]- 249.018481 169.8
[M+CH3COO]- 263.034131 221.7
[M+Na-2H]- 224.994946 160.0
[M]+ 204.01973142 150.7
[M]- 204.02082858 150.7
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