CID 262369

4'-bromo-[1,1'-biphenyl]-4-ol acetate

Structural Information

Molecular Formula

C₁₄H₁₁BrO₂

SMILES

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H11BrO2/c1-10(16)17-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9H,1H3

InChIKey

PZPSICDSQWAIBR-UHFFFAOYSA-N

Compound name

[4-(4-bromophenyl)phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 289.99423 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]+	291.00151	156.1
[M+Na]+	312.98345	167.3
[M-H]-	288.98695	165.6
[M+NH4]+	308.02805	175.4
[M+K]+	328.95739	156.3
[M+H-H2O]+	272.99149	155.4
[M+HCOO]-	334.99243	177.6
[M+CH3COO]-	349.00808	197.2
[M+Na-2H]-	310.96890	162.4
[M]+	289.99368	176.0
[M]-	289.99478	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe