CID 7808

4-bromophenol

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1O)Br

InChI

InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey

GZFGOTFRPZRKDS-UHFFFAOYSA-N

Compound name

4-bromophenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 595
References: 32712
Patents: 171.95238 Da
Monoisotopic Mass: 2.6
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]+	172.959656	124.6
[M+Na]+	194.941598	136.9
[M-H]-	170.945104	130.2
[M+NH4]+	189.986203	148.0
[M+K]+	210.915538	126.3
[M+H-H2O]+	154.949640	125.8
[M+HCOO]-	216.950581	146.4
[M+CH3COO]-	230.966231	174.0
[M+Na-2H]-	192.927046	134.2
[M]+	171.95183142	142.0
[M]-	171.95292858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe