CID 17094

2,4,6-tribromoresorcinol

Structural Information

Molecular Formula

C₆H₃Br₃O₂

SMILES

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

InChI

InChI=1S/C6H3Br3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H

InChIKey

YADZSMVDNYXOOB-UHFFFAOYSA-N

Compound name

2,4,6-tribromobenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 303
Patents: 343.7683 Da
Monoisotopic Mass: 4.4
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]+	344.77558	152.4
[M+Na]+	366.75752	145.5
[M+NH4]+	361.80212	153.4
[M+K]+	382.73146	154.1
[M-H]-	342.76102	153.9
[M+Na-2H]-	364.74297	153.5
[M]+	343.76775	151.7
[M]-	343.76885	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe