CID 135465517

Schembl625870

Structural Information

Molecular Formula

C₁₅H₁₁FN₂O

SMILES

C1=CC=C(C(=C1)C2=CC=NN2C3=CC=CC=C3F)O

InChI

InChI=1S/C15H11FN2O/c16-12-6-2-3-7-14(12)18-13(9-10-17-18)11-5-1-4-8-15(11)19/h1-10,19H

InChIKey

SZUIEWNUHWVSJW-UHFFFAOYSA-N

Compound name

2-[2-(2-fluorophenyl)pyrazol-3-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 254.08554 Da
Monoisotopic Mass: 3.3
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]+	255.09282	154.6
[M+Na]+	277.07476	164.5
[M-H]-	253.07826	160.0
[M+NH4]+	272.11936	169.9
[M+K]+	293.04870	158.6
[M+H-H2O]+	237.08280	144.8
[M+HCOO]-	299.08374	175.8
[M+CH3COO]-	313.09939	166.9
[M+Na-2H]-	275.06021	158.6
[M]+	254.08499	153.0
[M]-	254.08609	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe