CID 5131548

40677-31-4

Structural Information

Molecular Formula

C₁₄H₁₀O₅

SMILES

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

InChI

InChI=1S/C14H10O5/c15-11-5-1-10(2-6-11)14(18)19-12-7-3-9(4-8-12)13(16)17/h1-8,15H,(H,16,17)

InChIKey

XEWYFIXXJRNLJV-UHFFFAOYSA-N

Compound name

4-(4-hydroxybenzoyl)oxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 137
Patents: 258.05283 Da
Monoisotopic Mass: 2.8
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]+	259.060106	153.8
[M+Na]+	281.042048	161.0
[M-H]-	257.045554	158.4
[M+NH4]+	276.086653	168.8
[M+K]+	297.015988	158.3
[M+H-H2O]+	241.050090	146.8
[M+HCOO]-	303.051031	174.6
[M+CH3COO]-	317.066681	189.3
[M+Na-2H]-	279.027496	157.2
[M]+	258.05228142	154.4
[M]-	258.05337858	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe