CID 11516618

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

Structural Information

Molecular Formula

C₁₃H₁₀BrIO

SMILES

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

InChI

InChI=1S/C13H10BrIO/c14-12-7-6-11(15)8-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2

InChIKey

QVTXKRNPVVCAJD-UHFFFAOYSA-N

Compound name

1-bromo-4-iodo-2-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 387.89597 Da
Monoisotopic Mass: 4.7
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]+	388.90325	163.5
[M+Na]+	410.88519	167.8
[M-H]-	386.88869	165.4
[M+NH4]+	405.92979	178.2
[M+K]+	426.85913	162.2
[M+H-H2O]+	370.89323	158.9
[M+HCOO]-	432.89417	180.5
[M+CH3COO]-	446.90982	203.1
[M+Na-2H]-	408.87064	159.4
[M]+	387.89542	179.2
[M]-	387.89652	179.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe