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

27959
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]+ 212.09308 142.6
[M+Na]+ 234.07502 153.2
[M-H]- 210.07852 145.7
[M+NH4]+ 229.11962 156.9
[M+K]+ 250.04896 148.0
[M+H-H2O]+ 194.08306 132.0
[M+HCOO]- 256.08400 164.0
[M+CH3COO]- 270.09965 155.0
[M+Na-2H]- 232.06047 148.4
[M]+ 211.08525 142.3
[M]- 211.08635 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.