CID 3071625

137987-93-0

Structural Information

Molecular Formula

C₁₆H₁₄O₆

SMILES

CC(=O)OC1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O

InChI

InChI=1S/C16H14O6/c1-10(17)22-13-5-3-12(4-6-13)21-9-16(20)14-7-2-11(18)8-15(14)19/h2-8,18-19H,9H2,1H3

InChIKey

OQTIVEVHHWLUFX-UHFFFAOYSA-N

Compound name

[4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.07904 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]+	303.086316	165.2
[M+Na]+	325.068258	172.2
[M-H]-	301.071764	169.7
[M+NH4]+	320.112863	178.5
[M+K]+	341.042198	169.9
[M+H-H2O]+	285.076300	157.7
[M+HCOO]-	347.077241	185.5
[M+CH3COO]-	361.092891	198.8
[M+Na-2H]-	323.053706	167.0
[M]+	302.07849142	168.3
[M]-	302.07958858	168.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.