CID 19822404

125562-29-0

Structural Information

Molecular Formula

C₁₃H₂₇BrO₆

SMILES

COCCOCCOCCOCCOCCOCCBr

InChI

InChI=1S/C13H27BrO6/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h2-13H2,1H3

InChIKey

GFRLIPYEIIWDJX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 358.0991 Da
Monoisotopic Mass: 0.1
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]+	359.106376	174.7
[M+Na]+	381.088318	181.8
[M-H]-	357.091824	175.9
[M+NH4]+	376.132923	191.1
[M+K]+	397.062258	172.8
[M+H-H2O]+	341.096360	172.6
[M+HCOO]-	403.097301	194.8
[M+CH3COO]-	417.112951	208.6
[M+Na-2H]-	379.073766	179.2
[M]+	358.09855142	204.6
[M]-	358.09964858	204.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe