CID 4498085

586369-93-9

Structural Information

Molecular Formula

C₁₁H₁₁F₃O

SMILES

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

InChI

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

InChIKey

OSZRQYTWONOZBA-UHFFFAOYSA-N

Compound name

2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 216.0762 Da
Monoisotopic Mass: 4.0
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]+	217.083476	142.4
[M+Na]+	239.065418	150.4
[M-H]-	215.068924	142.4
[M+NH4]+	234.110023	161.1
[M+K]+	255.039358	148.0
[M+H-H2O]+	199.073460	134.6
[M+HCOO]-	261.074401	160.0
[M+CH3COO]-	275.090051	189.3
[M+Na-2H]-	237.050866	145.4
[M]+	216.07565142	138.8
[M]-	216.07674858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe