CID 3825390

1-bromo-3-(1,1-dimethoxyethyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₃BrO₂

SMILES

CC(C1=CC(=CC=C1)Br)(OC)OC

InChI

InChI=1S/C10H13BrO2/c1-10(12-2,13-3)8-5-4-6-9(11)7-8/h4-7H,1-3H3

InChIKey

SWMARCBUWYKQGH-UHFFFAOYSA-N

Compound name

1-bromo-3-(1,1-dimethoxyethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 244.00989 Da
Monoisotopic Mass: 2.4
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]+	245.01717	145.0
[M+Na]+	266.99911	148.4
[M+NH4]+	262.04371	149.9
[M+K]+	282.97305	148.5
[M-H]-	243.00261	145.3
[M+Na-2H]-	264.98456	148.9
[M]+	244.00934	144.5
[M]-	244.01044	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe