CID 15127190

99187-42-5

Structural Information

Molecular Formula

C₁₀H₁₃BrO₂

SMILES

COC1=CC(=C(C=C1)OC)CCBr

InChI

InChI=1S/C10H13BrO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6H2,1-2H3

InChIKey

OMALKMWOCZAJEA-UHFFFAOYSA-N

Compound name

2-(2-bromoethyl)-1,4-dimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 244.00989 Da
Monoisotopic Mass: 3.0
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	144.4
[M+Na]+	266.99911	156.2
[M-H]-	243.00261	150.9
[M+NH4]+	262.04371	166.0
[M+K]+	282.97305	146.1
[M+H-H2O]+	227.00715	144.4
[M+HCOO]-	289.00809	166.5
[M+CH3COO]-	303.02374	190.7
[M+Na-2H]-	264.98456	151.6
[M]+	244.00934	166.6
[M]-	244.01044	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe