CID 2245425

[2-(2-bromoethoxy)ethoxy]benzene

Structural Information

Molecular Formula

C₁₀H₁₃BrO₂

SMILES

C1=CC=C(C=C1)OCCOCCBr

InChI

InChI=1S/C10H13BrO2/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

FETWVQRXLBDILP-UHFFFAOYSA-N

Compound name

2-(2-bromoethoxy)ethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 244.00989 Da
Monoisotopic Mass: 2.5
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]+	245.01717	146.2
[M+Na]+	266.99911	149.5
[M+NH4]+	262.04371	151.2
[M+K]+	282.97305	148.3
[M-H]-	243.00261	146.9
[M+Na-2H]-	264.98456	150.2
[M]+	244.00934	145.7
[M]-	244.01044	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe