CID 604810

2-bromoresorcinol

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H5BrO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H

InChIKey

UOLPZAPIFFZLMF-UHFFFAOYSA-N

Compound name

2-bromobenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 699
Patents: 187.9473 Da
Monoisotopic Mass: 1.9
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]+	188.954576	127.9
[M+Na]+	210.936518	140.4
[M-H]-	186.940024	132.4
[M+NH4]+	205.981123	150.2
[M+K]+	226.910458	129.3
[M+H-H2O]+	170.944560	129.0
[M+HCOO]-	232.945501	148.3
[M+CH3COO]-	246.961151	174.5
[M+Na-2H]-	208.921966	136.2
[M]+	187.94675142	145.2
[M]-	187.94784858	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe