CID 90457104

1-[(4-fluorophenyl)methyl]-1h-pyrazol-4-ol

Structural Information

Molecular Formula

C₁₀H₉FN₂O

SMILES

C1=CC(=CC=C1CN2C=C(C=N2)O)F

InChI

InChI=1S/C10H9FN2O/c11-9-3-1-8(2-4-9)6-13-7-10(14)5-12-13/h1-5,7,14H,6H2

InChIKey

RPWHOGBRQYMQOA-UHFFFAOYSA-N

Compound name

1-[(4-fluorophenyl)methyl]pyrazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 192.06989 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.07717	140.4
[M+Na]+	215.05911	153.4
[M+NH4]+	210.10371	148.0
[M+K]+	231.03305	148.6
[M-H]-	191.06261	141.5
[M+Na-2H]-	213.04456	147.9
[M]+	192.06934	142.4
[M]-	192.07044	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe