CID 2764127

37306-44-8

Structural Information

Molecular Formula
C11H9N5
SMILES
C1=CC=C(C(=C1)C2=NC=NN2)N3C=CN=C3
InChI
InChI=1S/C11H9N5/c1-2-4-10(16-6-5-12-8-16)9(3-1)11-13-7-14-15-11/h1-8H,(H,13,14,15)
InChIKey
MEOQWPMLKZKWFI-UHFFFAOYSA-N
Compound name
5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28085
References

0
Patents

211.0858 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.093076 142.6
[M+Na]+ 234.075018 153.2
[M-H]- 210.078524 145.7
[M+NH4]+ 229.119623 156.9
[M+K]+ 250.048958 148.0
[M+H-H2O]+ 194.083060 132.0
[M+HCOO]- 256.084001 164.0
[M+CH3COO]- 270.099651 155.0
[M+Na-2H]- 232.060466 148.4
[M]+ 211.08525142 142.3
[M]- 211.08634858 142.3
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

No patent data available for this compound.