CID 100955

59089-68-8

Structural Information

Molecular Formula

C₁₂H₈F₂O

SMILES

C1=CC(=CC=C1C2=C(C=C(C=C2)F)F)O

InChI

InChI=1S/C12H8F2O/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8/h1-7,15H

InChIKey

ASOVDRYKVVVCIA-UHFFFAOYSA-N

Compound name

4-(2,4-difluorophenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 132
Patents: 206.05432 Da
Monoisotopic Mass: 3.4
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]+	207.06160	139.0
[M+Na]+	229.04354	149.1
[M-H]-	205.04704	142.7
[M+NH4]+	224.08814	157.7
[M+K]+	245.01748	144.4
[M+H-H2O]+	189.05158	131.1
[M+HCOO]-	251.05252	160.7
[M+CH3COO]-	265.06817	184.3
[M+Na-2H]-	227.02899	144.5
[M]+	206.05377	136.0
[M]-	206.05487	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe