CID 75549

P-hydroxyphenyl benzoate

Structural Information

Molecular Formula

C₁₃H₁₀O₃

SMILES

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

InChI

InChI=1S/C13H10O3/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9,14H

InChIKey

JFAXJRJMFOACBO-UHFFFAOYSA-N

Compound name

(4-hydroxyphenyl) benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 961
Patents: 214.06299 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]+	215.07027	144.5
[M+Na]+	237.05221	152.0
[M-H]-	213.05571	150.2
[M+NH4]+	232.09681	162.1
[M+K]+	253.02615	149.0
[M+H-H2O]+	197.06025	137.6
[M+HCOO]-	259.06119	167.6
[M+CH3COO]-	273.07684	183.1
[M+Na-2H]-	235.03766	150.7
[M]+	214.06244	144.6
[M]-	214.06354	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe