CID 2759518

124211-72-9

Structural Information

Molecular Formula

C₁₁H₁₁F₃O

SMILES

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

InChI

InChI=1S/C11H11F3O/c1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14/h3-7H,1-2H3

InChIKey

JXAARZPBEHNXIL-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 216.0762 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]+	217.08348	142.4
[M+Na]+	239.06542	150.4
[M-H]-	215.06892	142.4
[M+NH4]+	234.11002	161.1
[M+K]+	255.03936	148.0
[M+H-H2O]+	199.07346	134.6
[M+HCOO]-	261.07440	160.0
[M+CH3COO]-	275.09005	189.3
[M+Na-2H]-	237.05087	145.4
[M]+	216.07565	138.8
[M]-	216.07675	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe