CID 12463131

4-(1h-pyrazol-1-yl)phenol

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CN(N=C1)C2=CC=C(C=C2)O
InChI
InChI=1S/C9H8N2O/c12-9-4-2-8(3-5-9)11-7-1-6-10-11/h1-7,12H
InChIKey
ZAWSQVRNWFGLQP-UHFFFAOYSA-N
Compound name
4-pyrazol-1-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
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

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Patent stripe

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