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: 10
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]+	193.077166	137.6
[M+Na]+	215.059108	147.4
[M-H]-	191.062614	139.6
[M+NH4]+	210.103713	155.7
[M+K]+	231.033048	143.5
[M+H-H2O]+	175.067150	129.1
[M+HCOO]-	237.068091	159.2
[M+CH3COO]-	251.083741	179.6
[M+Na-2H]-	213.044556	142.7
[M]+	192.06934142	136.3
[M]-	192.07043858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe