CID 23055339

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

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC=C(C(=C1)N2C=NC=N2)O
InChI
InChI=1S/C8H7N3O/c12-8-4-2-1-3-7(8)11-6-9-5-10-11/h1-6,12H
InChIKey
LBVKVHPNSXYVJM-UHFFFAOYSA-N
Compound name
2-(1,2,4-triazol-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 131.8
[M+Na]+ 184.04813 145.6
[M+NH4]+ 179.09273 139.7
[M+K]+ 200.02207 141.4
[M-H]- 160.05163 133.6
[M+Na-2H]- 182.03358 140.6
[M]+ 161.05836 134.2
[M]- 161.05946 134.2
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