CID 733087

2-(benzyloxy)-5-bromobenzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₁BrO₂

SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=O

InChI

InChI=1S/C14H11BrO2/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2

InChIKey

LXYOEDGDQBDZFK-UHFFFAOYSA-N

Compound name

5-bromo-2-phenylmethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 286
Patents: 289.99423 Da
Monoisotopic Mass: 3.5
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]+	291.00151	155.6
[M+Na]+	312.98345	167.0
[M-H]-	288.98695	164.9
[M+NH4]+	308.02805	174.8
[M+K]+	328.95739	155.5
[M+H-H2O]+	272.99149	154.8
[M+HCOO]-	334.99243	178.0
[M+CH3COO]-	349.00808	197.0
[M+Na-2H]-	310.96890	163.0
[M]+	289.99368	176.1
[M]-	289.99478	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe