CID 11563

3-bromophenol

Structural Information

Molecular Formula

SMILES

C1=CC(=CC(=C1)Br)O

InChI

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

InChIKey

MNOJRWOWILAHAV-UHFFFAOYSA-N

Compound name

3-bromophenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 20
References: 11524
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]+	172.95966	124.6
[M+Na]+	194.94160	136.9
[M-H]-	170.94510	130.2
[M+NH4]+	189.98620	148.0
[M+K]+	210.91554	126.3
[M+H-H2O]+	154.94964	125.8
[M+HCOO]-	216.95058	146.4
[M+CH3COO]-	230.96623	174.0
[M+Na-2H]-	192.92705	134.2
[M]+	171.95183	142.0
[M]-	171.95293	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe