CID 76852

2,6-dibromohydroquinone

Structural Information

Molecular Formula

C₆H₄Br₂O₂

SMILES

C1=C(C=C(C(=C1Br)O)Br)O

InChI

InChI=1S/C6H4Br2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H

InChIKey

IELUPRVYGHTVHQ-UHFFFAOYSA-N

Compound name

2,6-dibromobenzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 125
Patents: 265.8578 Da
Monoisotopic Mass: 3.4
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]+	266.86508	131.7
[M+Na]+	288.84702	143.4
[M-H]-	264.85052	137.0
[M+NH4]+	283.89162	151.0
[M+K]+	304.82096	127.7
[M+H-H2O]+	248.85506	140.1
[M+HCOO]-	310.85600	146.8
[M+CH3COO]-	324.87165	194.8
[M+Na-2H]-	286.83247	138.9
[M]+	265.85725	164.6
[M]-	265.85835	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe