CID 135636849

4-(4h-1,2,4-triazol-3-yl)phenol

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC(=CC=C1C2=NC=NN2)O
InChI
InChI=1S/C8H7N3O/c12-7-3-1-6(2-4-7)8-9-5-10-11-8/h1-5,12H,(H,9,10,11)
InChIKey
ZVILJBKZPFBMHZ-UHFFFAOYSA-N
Compound name
4-(1H-1,2,4-triazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

161.05891 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 131.3
[M+Na]+ 184.04813 140.6
[M-H]- 160.05163 131.9
[M+NH4]+ 179.09273 148.3
[M+K]+ 200.02207 136.6
[M+H-H2O]+ 144.05617 123.3
[M+HCOO]- 206.05711 151.7
[M+CH3COO]- 220.07276 144.1
[M+Na-2H]- 182.03358 138.3
[M]+ 161.05836 128.7
[M]- 161.05946 128.7
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