CID 11280121

1,2-bis(benzyloxy)-4-bromobenzene

Structural Information

Molecular Formula

C₂₀H₁₇BrO₂

SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H17BrO2/c21-18-11-12-19(22-14-16-7-3-1-4-8-16)20(13-18)23-15-17-9-5-2-6-10-17/h1-13H,14-15H2

InChIKey

LBAPEDPREBPULC-UHFFFAOYSA-N

Compound name

4-bromo-1,2-bis(phenylmethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 368.0412 Da
Monoisotopic Mass: 5.5
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]+	369.048476	180.2
[M+Na]+	391.030418	189.5
[M-H]-	367.033924	191.5
[M+NH4]+	386.075023	195.7
[M+K]+	407.004358	177.5
[M+H-H2O]+	351.038460	177.7
[M+HCOO]-	413.039401	201.4
[M+CH3COO]-	427.055051	192.9
[M+Na-2H]-	389.015866	186.2
[M]+	368.04065142	200.4
[M]-	368.04174858	200.4

Literature stripe

literature stripe

Patent stripe

patents stripe