CID 746395

137988-07-9

Structural Information

Molecular Formula

C₁₇H₁₂O₅

SMILES

CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3

InChI

InChI=1S/C17H12O5/c1-11(18)21-13-7-8-14-15(9-13)20-10-16(17(14)19)22-12-5-3-2-4-6-12/h2-10H,1H3

InChIKey

BUUNXKBAQARCBI-UHFFFAOYSA-N

Compound name

(4-oxo-3-phenoxychromen-7-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 3
Patents: 296.06848 Da
Monoisotopic Mass: 3.0
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]+	297.07576	163.0
[M+Na]+	319.05770	179.3
[M+NH4]+	314.10230	170.9
[M+K]+	335.03164	172.4
[M-H]-	295.06120	168.6
[M+Na-2H]-	317.04315	171.5
[M]+	296.06793	167.1
[M]-	296.06903	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe