CID 2063320

588676-02-2

Structural Information

Molecular Formula

C₁₄H₁₁BrO₂

SMILES

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

InChI

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

InChIKey

RNVLQBDBEJCTRG-UHFFFAOYSA-N

Compound name

4-[(3-bromophenyl)methoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
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