CID 53183

Brn 2296293

Structural Information

Molecular Formula

C₁₆H₁₄O₆

SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)OCC(=O)O)O

InChI

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

InChIKey

IOLLGHLUCUSEOR-UHFFFAOYSA-N

Compound name

2-[4-(2-hydroxy-4-methoxybenzoyl)phenoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.07904 Da
Monoisotopic Mass: 3.2
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	165.0
[M+Na]+	325.068258	171.8
[M-H]-	301.071764	169.4
[M+NH4]+	320.112863	178.2
[M+K]+	341.042198	169.6
[M+H-H2O]+	285.076300	157.4
[M+HCOO]-	347.077241	185.2
[M+CH3COO]-	361.092891	199.5
[M+Na-2H]-	323.053706	166.7
[M]+	302.07849142	168.2
[M]-	302.07958858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.