CID 1494338

4-(benzyloxy)-3-bromobenzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₁BrO₂

SMILES

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

InChI

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

InChIKey

LMAYCCCBNRUZPC-UHFFFAOYSA-N

Compound name

3-bromo-4-phenylmethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 201
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	154.3
[M+Na]+	312.98345	160.2
[M+NH4]+	308.02805	159.7
[M+K]+	328.95739	158.1
[M-H]-	288.98695	157.3
[M+Na-2H]-	310.96890	160.8
[M]+	289.99368	155.0
[M]-	289.99478	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe