CID 20032081

((2-(2-(2-bromoethoxy)ethoxy)ethoxy)methyl)benzene

Structural Information

Molecular Formula

C₁₃H₁₉BrO₃

SMILES

C1=CC=C(C=C1)COCCOCCOCCBr

InChI

InChI=1S/C13H19BrO3/c14-6-7-15-8-9-16-10-11-17-12-13-4-2-1-3-5-13/h1-5H,6-12H2

InChIKey

ALQCMVLZSDVCQF-UHFFFAOYSA-N

Compound name

2-[2-(2-bromoethoxy)ethoxy]ethoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 302.05176 Da
Monoisotopic Mass: 2.0
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]+	303.059036	162.2
[M+Na]+	325.040978	170.8
[M-H]-	301.044484	167.3
[M+NH4]+	320.085583	180.8
[M+K]+	341.014918	160.4
[M+H-H2O]+	285.049020	160.9
[M+HCOO]-	347.049961	183.4
[M+CH3COO]-	361.065611	198.8
[M+Na-2H]-	323.026426	168.9
[M]+	302.05121142	186.0
[M]-	302.05230858	186.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe