CID 12134349

74508-89-7

Structural Information

Molecular Formula

C₁₀H₁₁BrO₂

SMILES

C1COC(O1)C2=CC=C(C=C2)CBr

InChI

InChI=1S/C10H11BrO2/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,10H,5-7H2

InChIKey

YLHRFAYHNFVLAD-UHFFFAOYSA-N

Compound name

2-[4-(bromomethyl)phenyl]-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 241.99425 Da
Monoisotopic Mass: 1.9
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]+	243.00153	147.3
[M+Na]+	264.98347	150.7
[M+NH4]+	260.02807	152.8
[M+K]+	280.95741	152.1
[M-H]-	240.98697	151.5
[M+Na-2H]-	262.96892	150.5
[M]+	241.99370	147.9
[M]-	241.99480	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe