CID 18100

3,5-dibromo-4-hydroxybenzaldehyde

Structural Information

Molecular Formula

C₇H₄Br₂O₂

SMILES

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

InChI

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

InChIKey

SXRHGLQCOLNZPT-UHFFFAOYSA-N

Compound name

3,5-dibromo-4-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 813
Patents: 277.8578 Da
Monoisotopic Mass: 3.2
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]+	278.86508	143.2
[M+Na]+	300.84702	138.9
[M+NH4]+	295.89162	145.1
[M+K]+	316.82096	145.4
[M-H]-	276.85052	143.7
[M+Na-2H]-	298.83247	144.8
[M]+	277.85725	141.6
[M]-	277.85835	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe