CID 72551

2-(phenylazo)-1h-imidazole

Structural Information

Molecular Formula
C9H8N4
SMILES
C1=CC=C(C=C1)N=NC2=NC=CN2
InChI
InChI=1S/C9H8N4/c1-2-4-8(5-3-1)12-13-9-10-6-7-11-9/h1-7H,(H,10,11)
InChIKey
IWKTVWFSQDLTHC-UHFFFAOYSA-N
Compound name
1H-imidazol-2-yl(phenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

62
Patents

172.07489 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.082166 132.3
[M+Na]+ 195.064108 140.1
[M-H]- 171.067614 137.9
[M+NH4]+ 190.108713 151.4
[M+K]+ 211.038048 137.5
[M+H-H2O]+ 155.072150 123.3
[M+HCOO]- 217.073091 160.4
[M+CH3COO]- 231.088741 146.2
[M+Na-2H]- 193.049556 142.1
[M]+ 172.07434142 131.2
[M]- 172.07543858 131.2
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