CID 2735991

70097-64-2

Structural Information

Molecular Formula

C₁₄H₁₁F₃O

SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(F)(F)F

InChI

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

InChIKey

KFUXJOLIPMQFEL-UHFFFAOYSA-N

Compound name

1-phenylmethoxy-3-(trifluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 252.0762 Da
Monoisotopic Mass: 4.3
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	158.7
[M+Na]+	275.06542	170.3
[M+NH4]+	270.11002	165.4
[M+K]+	291.03936	162.9
[M-H]-	251.06892	158.7
[M+Na-2H]-	273.05087	166.3
[M]+	252.07565	160.3
[M]-	252.07675	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe