CID 238346

Diphenyl(trifluoromethyl)carbinol

Structural Information

Molecular Formula

C₁₄H₁₁F₃O

SMILES

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

InChI

InChI=1S/C14H11F3O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H

InChIKey

MJZYEOYNWIIQIV-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1,1-diphenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 252.0762 Da
Monoisotopic Mass: 4.0
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]+	253.083476	152.5
[M+Na]+	275.065418	159.9
[M-H]-	251.068924	153.9
[M+NH4]+	270.110023	168.5
[M+K]+	291.039358	155.1
[M+H-H2O]+	235.073460	143.6
[M+HCOO]-	297.074401	169.2
[M+CH3COO]-	311.090051	189.9
[M+Na-2H]-	273.050866	159.7
[M]+	252.07565142	146.6
[M]-	252.07674858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe