CID 13230355

72593-77-2

Structural Information

Molecular Formula

C₇H₁₅BrO₃

SMILES

COCCOCCOCCBr

InChI

InChI=1S/C7H15BrO3/c1-9-4-5-11-7-6-10-3-2-8/h2-7H2,1H3

InChIKey

LCCCTXULXHJDLA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 573
Patents: 226.02046 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]+	227.02774	142.0
[M+Na]+	249.00968	152.2
[M-H]-	225.01318	144.7
[M+NH4]+	244.05428	163.9
[M+K]+	264.98362	143.2
[M+H-H2O]+	209.01772	142.1
[M+HCOO]-	271.01866	163.6
[M+CH3COO]-	285.03431	186.5
[M+Na-2H]-	246.99513	149.6
[M]+	226.01991	166.0
[M]-	226.02101	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe