CID 5068606

4-fluoro-2-(1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula
C9H7FN2O
SMILES
C1=CC(=C(C=C1F)C2=CC=NN2)O
InChI
InChI=1S/C9H7FN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChIKey
QKAHKTLLEHWJPY-UHFFFAOYSA-N
Compound name
4-fluoro-2-(1H-pyrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

85
Patents

178.05424 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06152 133.5
[M+Na]+ 201.04346 143.3
[M-H]- 177.04696 134.4
[M+NH4]+ 196.08806 151.5
[M+K]+ 217.01740 138.8
[M+H-H2O]+ 161.05150 125.6
[M+HCOO]- 223.05244 153.9
[M+CH3COO]- 237.06809 146.4
[M+Na-2H]- 199.02891 138.8
[M]+ 178.05369 130.1
[M]- 178.05479 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe