CID 53908457

Dibromo-4-hydroxybenzaldehyde

Structural Information

Molecular Formula

C₇H₄Br₂O₂

SMILES

C1=CC(=C(C(=C1C=O)Br)Br)O

InChI

InChI=1S/C7H4Br2O2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-3,11H

InChIKey

ICAPSXNYSOKBBZ-UHFFFAOYSA-N

Compound name

2,3-dibromo-4-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 277.8578 Da
Monoisotopic Mass: 2.4
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]+	278.865076	132.7
[M+Na]+	300.847018	144.8
[M-H]-	276.850524	139.0
[M+NH4]+	295.891623	152.3
[M+K]+	316.820958	129.2
[M+H-H2O]+	260.855060	141.1
[M+HCOO]-	322.856001	149.0
[M+CH3COO]-	336.871651	198.4
[M+Na-2H]-	298.832466	140.1
[M]+	277.85725142	166.9
[M]-	277.85834858	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe