CID 2774410

73790-06-4

Structural Information

Molecular Formula

C₁₁H₉F₃O₃

SMILES

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

InChI

InChI=1S/C11H9F3O3/c1-2-17-10(16)9(15)7-3-5-8(6-4-7)11(12,13)14/h3-6H,2H2,1H3

InChIKey

GWZHQTZYBBUMHI-UHFFFAOYSA-N

Compound name

ethyl 2-oxo-2-[4-(trifluoromethyl)phenyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 246.05038 Da
Monoisotopic Mass: 2.9
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]+	247.05766	156.4
[M+Na]+	269.03960	164.4
[M+NH4]+	264.08420	160.6
[M+K]+	285.01354	160.4
[M-H]-	245.04310	152.0
[M+Na-2H]-	267.02505	159.0
[M]+	246.04983	155.9
[M]-	246.05093	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe