CID 122062

Bromoconduritol

Structural Information

Molecular Formula

SMILES

C1=CC(C(C(C1O)O)O)Br

InChI

InChI=1S/C6H9BrO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H

InChIKey

SUCAFEYLYXXTPF-UHFFFAOYSA-N

Compound name

6-bromocyclohex-4-ene-1,2,3-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 22
References: 33
Patents: 207.97351 Da
Monoisotopic Mass: -0.6
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]+	208.98079	136.0
[M+Na]+	230.96273	137.5
[M+NH4]+	226.00733	140.0
[M+K]+	246.93667	139.3
[M-H]-	206.96623	134.8
[M+Na-2H]-	228.94818	136.8
[M]+	207.97296	134.4
[M]-	207.97406	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe