CID 22349

((p-iodophenyl)azo)malononitrile

Structural Information

Molecular Formula
C9H5IN4
SMILES
C1=CC(=CC=C1N=NC(C#N)C#N)I
InChI
InChI=1S/C9H5IN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,9H
InChIKey
DETWKLHENUVUKN-UHFFFAOYSA-N
Compound name
2-[(4-iodophenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

295.9559 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.96318 163.6
[M+Na]+ 318.94512 167.8
[M-H]- 294.94862 163.6
[M+NH4]+ 313.98972 173.2
[M+K]+ 334.91906 169.0
[M+H-H2O]+ 278.95316 145.8
[M+HCOO]- 340.95410 175.5
[M+CH3COO]- 354.96975 225.8
[M+Na-2H]- 316.93057 158.4
[M]+ 295.95535 154.5
[M]- 295.95645 154.5
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