CID 1494337

2-(benzyloxy)-3,5-dibromobenzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₀Br₂O₂

SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2Br)Br)C=O

InChI

InChI=1S/C14H10Br2O2/c15-12-6-11(8-17)14(13(16)7-12)18-9-10-4-2-1-3-5-10/h1-8H,9H2

InChIKey

AACUFLFOQQDBBB-UHFFFAOYSA-N

Compound name

3,5-dibromo-2-phenylmethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 367.90475 Da
Monoisotopic Mass: 4.2
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]+	368.912026	156.2
[M+Na]+	390.893968	166.8
[M-H]-	366.897474	165.3
[M+NH4]+	385.938573	173.1
[M+K]+	406.867908	151.6
[M+H-H2O]+	350.902010	163.7
[M+HCOO]-	412.902951	172.9
[M+CH3COO]-	426.918601	212.9
[M+Na-2H]-	388.879416	162.5
[M]+	367.90420142	191.9
[M]-	367.90529858	191.9

Literature stripe

literature stripe

Patent stripe

patents stripe