CID 10978837

6185-76-8

Structural Information

Molecular Formula

C₁₅H₁₁F₃O₂

SMILES

COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H11F3O2/c1-20-13-8-4-11(5-9-13)14(19)10-2-6-12(7-3-10)15(16,17)18/h2-9H,1H3

InChIKey

IDGRRJWQDJEWGN-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 280.0711 Da
Monoisotopic Mass: 4.1
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]+	281.07838	158.7
[M+Na]+	303.06032	167.4
[M-H]-	279.06382	161.9
[M+NH4]+	298.10492	174.6
[M+K]+	319.03426	163.4
[M+H-H2O]+	263.06836	149.0
[M+HCOO]-	325.06930	177.6
[M+CH3COO]-	339.08495	199.2
[M+Na-2H]-	301.04577	162.5
[M]+	280.07055	156.5
[M]-	280.07165	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe