CID 137153

4-phenyl-1h-1,2,3-triazole

Structural Information

Molecular Formula
C8H7N3
SMILES
C1=CC=C(C=C1)C2=NNN=C2
InChI
InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)
InChIKey
LUEYUHCBBXWTQT-UHFFFAOYSA-N
Compound name
4-phenyl-2H-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

4514
Patents

145.064 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.071276 127.3
[M+Na]+ 168.053218 136.2
[M-H]- 144.056724 128.9
[M+NH4]+ 163.097823 145.4
[M+K]+ 184.027158 132.7
[M+H-H2O]+ 128.061260 118.9
[M+HCOO]- 190.062201 149.0
[M+CH3COO]- 204.077851 140.5
[M+Na-2H]- 166.038666 135.6
[M]+ 145.06345142 124.8
[M]- 145.06454858 124.8
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