CID 264661

4-bromophenyl benzoate

Structural Information

Molecular Formula

C₁₃H₉BrO₂

SMILES

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

InChI

InChI=1S/C13H9BrO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H

InChIKey

OHWWOZGHMUITKG-UHFFFAOYSA-N

Compound name

(4-bromophenyl) benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 220
Patents: 275.97858 Da
Monoisotopic Mass: 4.3
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]+	276.98586	148.8
[M+Na]+	298.96780	154.2
[M+NH4]+	294.01240	154.2
[M+K]+	314.94174	153.0
[M-H]-	274.97130	151.6
[M+Na-2H]-	296.95325	155.5
[M]+	275.97803	149.3
[M]-	275.97913	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe