CID 3022279

Sodium 3-(benzoyloxy)benzoate

Structural Information

Molecular Formula

C₁₄H₁₀O₄

SMILES

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

InChI

InChI=1S/C14H10O4/c15-13(16)11-7-4-8-12(9-11)18-14(17)10-5-2-1-3-6-10/h1-9H,(H,15,16)

InChIKey

MEUAICCVSAZKMX-UHFFFAOYSA-N

Compound name

3-benzoyloxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 242.0579 Da
Monoisotopic Mass: 3.1
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]+	243.065176	151.0
[M+Na]+	265.047118	157.9
[M-H]-	241.050624	156.6
[M+NH4]+	260.091723	167.2
[M+K]+	281.021058	155.3
[M+H-H2O]+	225.055160	143.8
[M+HCOO]-	287.056101	173.2
[M+CH3COO]-	301.071751	188.3
[M+Na-2H]-	263.032566	155.5
[M]+	242.05735142	151.6
[M]-	242.05844858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe