CID 11701510

1-[(2-bromoethoxy)methyl]-4-methoxybenzene

Structural Information

Molecular Formula

C₁₀H₁₃BrO₂

SMILES

COC1=CC=C(C=C1)COCCBr

InChI

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

InChIKey

XDLFIODZEMIBRY-UHFFFAOYSA-N

Compound name

1-(2-bromoethoxymethyl)-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 244.00989 Da
Monoisotopic Mass: 2.3
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	145.1
[M+Na]+	266.99911	156.1
[M-H]-	243.00261	151.3
[M+NH4]+	262.04371	166.4
[M+K]+	282.97305	145.9
[M+H-H2O]+	227.00715	145.0
[M+HCOO]-	289.00809	167.2
[M+CH3COO]-	303.02374	189.6
[M+Na-2H]-	264.98456	153.0
[M]+	244.00934	167.0
[M]-	244.01044	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe