CID 123049

Bis(4-fluorophenyl)methanol

Structural Information

Molecular Formula

C₁₃H₁₀F₂O

SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)F)O)F

InChI

InChI=1S/C13H10F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H

InChIKey

WCTZPQWLFWZYJE-UHFFFAOYSA-N

Compound name

bis(4-fluorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 403
Patents: 220.06998 Da
Monoisotopic Mass: 2.9
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]+	221.07726	148.8
[M+Na]+	243.05920	162.0
[M+NH4]+	238.10380	156.7
[M+K]+	259.03314	154.6
[M-H]-	219.06270	150.5
[M+Na-2H]-	241.04465	156.9
[M]+	220.06943	151.1
[M]-	220.07053	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe