CID 105503976

1781048-14-3

Structural Information

Molecular Formula

C₁₀H₁₁BrO₂

SMILES

C1COCC1(C2=CC=C(C=C2)Br)O

InChI

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

InChIKey

OTJRTHFIECDKPQ-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)oxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.99425 Da
Monoisotopic Mass: 1.6
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	146.7
[M+Na]+	264.98347	157.5
[M-H]-	240.98697	155.3
[M+NH4]+	260.02807	169.4
[M+K]+	280.95741	148.0
[M+H-H2O]+	224.99151	148.0
[M+HCOO]-	286.99245	166.1
[M+CH3COO]-	301.00810	183.2
[M+Na-2H]-	262.96892	154.0
[M]+	241.99370	163.6
[M]-	241.99480	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe