CID 43506231

1-[2-fluoro-6-(1h-pyrazol-1-yl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C11H11FN2O
SMILES
CC(C1=C(C=CC=C1F)N2C=CC=N2)O
InChI
InChI=1S/C11H11FN2O/c1-8(15)11-9(12)4-2-5-10(11)14-7-3-6-13-14/h2-8,15H,1H3
InChIKey
PZSHMJVSVZTRKT-UHFFFAOYSA-N
Compound name
1-(2-fluoro-6-pyrazol-1-ylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08554 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09282 142.5
[M+Na]+ 229.07476 151.5
[M-H]- 205.07826 144.5
[M+NH4]+ 224.11936 160.0
[M+K]+ 245.04870 147.9
[M+H-H2O]+ 189.08280 134.0
[M+HCOO]- 251.08374 162.7
[M+CH3COO]- 265.09939 183.5
[M+Na-2H]- 227.06021 145.9
[M]+ 206.08499 141.0
[M]- 206.08609 141.0
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

No patent data available for this compound.