CID 10488304

197312-65-5

Structural Information

Molecular Formula

C₁₀H₉F₃O

SMILES

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

InChI

InChI=1S/C10H9F3O/c1-7(14)9-4-2-8(3-5-9)6-10(11,12)13/h2-5H,6H2,1H3

InChIKey

VZKLOWIZQFIXSC-UHFFFAOYSA-N

Compound name

1-[4-(2,2,2-trifluoroethyl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 202.06055 Da
Monoisotopic Mass: 3.1
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]+	203.06783	147.4
[M+Na]+	225.04977	156.8
[M+NH4]+	220.09437	153.2
[M+K]+	241.02371	151.3
[M-H]-	201.05327	144.4
[M+Na-2H]-	223.03522	151.5
[M]+	202.06000	147.6
[M]-	202.06110	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe