CID 22348

2-chlorophenylazomalononitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

204.02028 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02756 157.2
[M+Na]+ 227.00950 167.2
[M-H]- 203.01300 161.9
[M+NH4]+ 222.05410 170.4
[M+K]+ 242.98344 163.4
[M+H-H2O]+ 187.01754 141.9
[M+HCOO]- 249.01848 169.8
[M+CH3COO]- 263.03413 221.7
[M+Na-2H]- 224.99495 160.0
[M]+ 204.01973 150.7
[M]- 204.02083 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