CID 136226476

38376-29-3

Structural Information

Molecular Formula

C₁₅H₁₁FN₂O

SMILES

C1=CC=C(C(=C1)C2=NNC(=C2)C3=CC=CC=C3F)O

InChI

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

InChIKey

SJPGLKXXUIEFLO-UHFFFAOYSA-N

Compound name

2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 6
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]+	255.092816	154.8
[M+Na]+	277.074758	164.2
[M-H]-	253.078264	158.9
[M+NH4]+	272.119363	169.4
[M+K]+	293.048698	157.4
[M+H-H2O]+	237.082800	145.3
[M+HCOO]-	299.083741	174.5
[M+CH3COO]-	313.099391	166.4
[M+Na-2H]-	275.060206	158.4
[M]+	254.08499142	151.4
[M]-	254.08608858	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe