CID 47003106

3-(1h-pyrazol-4-yl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

160.06366 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 132.6
[M+Na]+ 183.05288 145.9
[M+NH4]+ 178.09748 140.8
[M+K]+ 199.02682 141.4
[M-H]- 159.05638 134.7
[M+Na-2H]- 181.03833 140.9
[M]+ 160.06311 134.9
[M]- 160.06421 134.9
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