CID 579773

39768-86-0

Structural Information

Molecular Formula

C₁₄H₁₀F₄O

SMILES

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

InChI

InChI=1S/C14H10F4O/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8,13,19H

InChIKey

XYMORTGEMACCDO-UHFFFAOYSA-N

Compound name

(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 270.06677 Da
Monoisotopic Mass: 3.7
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]+	271.07405	155.1
[M+Na]+	293.05599	163.7
[M-H]-	269.05949	155.7
[M+NH4]+	288.10059	170.7
[M+K]+	309.02993	158.5
[M+H-H2O]+	253.06403	145.1
[M+HCOO]-	315.06497	171.3
[M+CH3COO]-	329.08062	195.3
[M+Na-2H]-	291.04144	158.3
[M]+	270.06622	148.8
[M]-	270.06732	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe