CID 11832318

2-(8-bromooctyl)-1,3-dioxolane

Structural Information

Molecular Formula

C₁₁H₂₁BrO₂

SMILES

C1COC(O1)CCCCCCCCBr

InChI

InChI=1S/C11H21BrO2/c12-8-6-4-2-1-3-5-7-11-13-9-10-14-11/h11H,1-10H2

InChIKey

WJIZUNSRMNMEPR-UHFFFAOYSA-N

Compound name

2-(8-bromooctyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 264.07248 Da
Monoisotopic Mass: 3.7
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]+	265.07976	161.6
[M+Na]+	287.06170	169.5
[M-H]-	263.06520	167.4
[M+NH4]+	282.10630	180.9
[M+K]+	303.03564	161.2
[M+H-H2O]+	247.06974	161.5
[M+HCOO]-	309.07068	179.4
[M+CH3COO]-	323.08633	192.2
[M+Na-2H]-	285.04715	166.8
[M]+	264.07193	182.3
[M]-	264.07303	182.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe