CID 19492

((m-chlorophenyl)azo)malononitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

468
References

156
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

literature stripe

Patent stripe

patents stripe