CID 228420

5436-05-5

Structural Information

Molecular Formula

C₂₀H₁₄O₄

SMILES

C1=CC(=CC(=C1)C(=O)C2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H14O4/c21-17-8-4-13(5-9-17)19(23)15-2-1-3-16(12-15)20(24)14-6-10-18(22)11-7-14/h1-12,21-22H

InChIKey

HVYBCWHAJRYTCH-UHFFFAOYSA-N

Compound name

[3-(4-hydroxybenzoyl)phenyl]-(4-hydroxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 274
Patents: 318.0892 Da
Monoisotopic Mass: 4.1
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]+	319.096476	172.4
[M+Na]+	341.078418	179.0
[M-H]-	317.081924	179.8
[M+NH4]+	336.123023	184.5
[M+K]+	357.052358	174.0
[M+H-H2O]+	301.086460	163.8
[M+HCOO]-	363.087401	192.1
[M+CH3COO]-	377.103051	203.3
[M+Na-2H]-	339.063866	174.3
[M]+	318.08865142	171.3
[M]-	318.08974858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe