CID 21997565

1-bromo-4-((2-methoxyethoxy)methyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₃BrO₂

SMILES

COCCOCC1=CC=C(C=C1)Br

InChI

InChI=1S/C10H13BrO2/c1-12-6-7-13-8-9-2-4-10(11)5-3-9/h2-5H,6-8H2,1H3

InChIKey

LGSRXJSBIBWDHR-UHFFFAOYSA-N

Compound name

1-bromo-4-(2-methoxyethoxymethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 244.00989 Da
Monoisotopic Mass: 2.1
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]+	245.01717	145.5
[M+Na]+	266.99911	149.1
[M+NH4]+	262.04371	150.5
[M+K]+	282.97305	148.1
[M-H]-	243.00261	146.2
[M+Na-2H]-	264.98456	149.3
[M]+	244.00934	145.0
[M]-	244.01044	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe