CID 15568328

2-(1h-pyrazol-1-yl)phenol hydrobromide

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC=C(C(=C1)N2C=CC=N2)O
InChI
InChI=1S/C9H8N2O/c12-9-5-2-1-4-8(9)11-7-3-6-10-11/h1-7,12H
InChIKey
BMTGLHWYLKPGMY-UHFFFAOYSA-N
Compound name
2-pyrazol-1-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

160.06366 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 132.1
[M+Na]+ 183.05288 145.9
[M+NH4]+ 178.09748 140.7
[M+K]+ 199.02682 141.2
[M-H]- 159.05638 134.7
[M+Na-2H]- 181.03833 141.0
[M]+ 160.06311 134.7
[M]- 160.06421 134.7
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