CID 75342

5-bromo-2-hydroxybenzyl alcohol

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1Br)CO)O

InChI

InChI=1S/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2

InChIKey

KNKRHSVKIORZQB-UHFFFAOYSA-N

Compound name

4-bromo-2-(hydroxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3596
Patents: 201.96294 Da
Monoisotopic Mass: 1.7
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]+	202.97022	133.2
[M+Na]+	224.95216	136.8
[M+NH4]+	219.99676	138.1
[M+K]+	240.92610	137.2
[M-H]-	200.95566	133.3
[M+Na-2H]-	222.93761	136.6
[M]+	201.96239	132.5
[M]-	201.96349	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe