CID 13254487

1-(2-bromoethoxy)-4-phenoxybenzene

Structural Information

Molecular Formula

C₁₄H₁₃BrO₂

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCBr

InChI

InChI=1S/C14H13BrO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,10-11H2

InChIKey

DHBGFBFDCPJARX-UHFFFAOYSA-N

Compound name

1-(2-bromoethoxy)-4-phenoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 292.0099 Da
Monoisotopic Mass: 4.4
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]+	293.01718	157.5
[M+Na]+	314.99912	167.8
[M-H]-	291.00262	166.4
[M+NH4]+	310.04372	176.5
[M+K]+	330.97306	156.8
[M+H-H2O]+	275.00716	156.5
[M+HCOO]-	337.00810	179.7
[M+CH3COO]-	351.02375	196.7
[M+Na-2H]-	312.98457	165.5
[M]+	292.00935	178.3
[M]-	292.01045	178.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe