CID 11035492

53201-62-0

Structural Information

Molecular Formula

C₂₀H₁₄O₆

SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C20H14O6/c21-15-5-1-13(2-6-15)19(23)25-17-9-11-18(12-10-17)26-20(24)14-3-7-16(22)8-4-14/h1-12,21-22H

InChIKey

WDNYOQDNYCWKPU-UHFFFAOYSA-N

Compound name

[4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 350.07904 Da
Monoisotopic Mass: 4.0
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]+	351.08632	178.6
[M+Na]+	373.06826	184.9
[M-H]-	349.07176	186.1
[M+NH4]+	368.11286	189.3
[M+K]+	389.04220	181.6
[M+H-H2O]+	333.07630	169.4
[M+HCOO]-	395.07724	198.6
[M+CH3COO]-	409.09289	206.5
[M+Na-2H]-	371.05371	180.7
[M]+	350.07849	180.2
[M]-	350.07959	180.2

Literature stripe

literature stripe

Patent stripe

patents stripe