CID 19389132

110429-45-3

Structural Information

Molecular Formula

C₉H₁₉BrO₄

SMILES

COCCOCCOCCOCCBr

InChI

InChI=1S/C9H19BrO4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h2-9H2,1H3

InChIKey

YFFFQGXWMHAJPP-UHFFFAOYSA-N

Compound name

1-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-2-methoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 213
Patents: 270.04666 Da
Monoisotopic Mass: 0.4
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]+	271.053936	153.3
[M+Na]+	293.035878	162.4
[M-H]-	269.039384	155.5
[M+NH4]+	288.080483	173.3
[M+K]+	309.009818	153.4
[M+H-H2O]+	253.043920	152.6
[M+HCOO]-	315.044861	174.4
[M+CH3COO]-	329.060511	193.9
[M+Na-2H]-	291.021326	159.8
[M]+	270.04611142	179.3
[M]-	270.04720858	179.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe