CID 20785494

4-(benzyloxy)-2-bromo-1-fluorobenzene

Structural Information

Molecular Formula

C₁₃H₁₀BrFO

SMILES

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

InChI

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

InChIKey

LHZJBWNQSNHEIO-UHFFFAOYSA-N

Compound name

2-bromo-1-fluoro-4-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
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]+	280.997176	153.7
[M+Na]+	302.979118	165.4
[M-H]-	278.982624	161.8
[M+NH4]+	298.023723	173.4
[M+K]+	318.953058	153.7
[M+H-H2O]+	262.987160	152.3
[M+HCOO]-	324.988101	175.0
[M+CH3COO]-	339.003751	195.6
[M+Na-2H]-	300.964566	160.9
[M]+	279.98935142	172.1
[M]-	279.99044858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe