CID 21640903

660842-05-7

Structural Information

Molecular Formula

C₁₃H₁₀BrFO

SMILES

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

InChI

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

InChIKey

RHCWAJVRIADCQS-UHFFFAOYSA-N

Compound name

2-bromo-4-fluoro-1-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
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	153.7
[M+Na]+	302.97912	165.4
[M-H]-	278.98262	161.8
[M+NH4]+	298.02372	173.4
[M+K]+	318.95306	153.7
[M+H-H2O]+	262.98716	152.3
[M+HCOO]-	324.98810	175.0
[M+CH3COO]-	339.00375	195.6
[M+Na-2H]-	300.96457	160.9
[M]+	279.98935	172.1
[M]-	279.99045	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe