CID 130779

115453-82-2

Structural Information

Molecular Formula

C₁₂H₉F₃O₃

SMILES

CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F

InChI

InChI=1S/C12H9F3O3/c1-2-17-7-3-4-8-9(12(13,14)15)6-11(16)18-10(8)5-7/h3-6H,2H2,1H3

InChIKey

OLHOIERZAZMHGK-UHFFFAOYSA-N

Compound name

7-ethoxy-4-(trifluoromethyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 59
References: 243
Patents: 258.05038 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]+	259.05766	157.4
[M+Na]+	281.03960	168.6
[M+NH4]+	276.08420	163.0
[M+K]+	297.01354	163.0
[M-H]-	257.04310	156.0
[M+Na-2H]-	279.02505	161.1
[M]+	258.04983	158.5
[M]-	258.05093	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe