CID 11254516

1-(benzyloxy)-3-bromo-5-fluorobenzene

Structural Information

Molecular Formula

C₁₃H₁₀BrFO

SMILES

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

InChI

InChI=1S/C13H10BrFO/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2

InChIKey

GNKNCAKNJIQBSX-UHFFFAOYSA-N

Compound name

1-bromo-3-fluoro-5-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 256
Patents: 279.9899 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]+	280.99718	154.5
[M+Na]+	302.97912	160.0
[M+NH4]+	298.02372	160.0
[M+K]+	318.95306	157.6
[M-H]-	278.98262	156.8
[M+Na-2H]-	300.96457	160.7
[M]+	279.98935	154.9
[M]-	279.99045	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe