CID 1393027

773872-61-0

Structural Information

Molecular Formula

C₁₄H₁₁F₃O

SMILES

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

InChI

InChI=1S/C14H11F3O/c15-14(16,17)13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18/h1-8,18H,9H2

InChIKey

IROMTEIILLDKHZ-UHFFFAOYSA-N

Compound name

[3-[3-(trifluoromethyl)phenyl]phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 252.0762 Da
Monoisotopic Mass: 3.9
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]+	253.08348	152.3
[M+Na]+	275.06542	161.1
[M-H]-	251.06892	154.2
[M+NH4]+	270.11002	168.9
[M+K]+	291.03936	155.9
[M+H-H2O]+	235.07346	143.2
[M+HCOO]-	297.07440	170.6
[M+CH3COO]-	311.09005	191.7
[M+Na-2H]-	273.05087	157.3
[M]+	252.07565	147.8
[M]-	252.07675	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe