CID 105464684

4-(2-bromo-1-fluoroethyl)oxane

Structural Information

Molecular Formula

C₇H₁₂BrFO

SMILES

C1COCCC1C(CBr)F

InChI

InChI=1S/C7H12BrFO/c8-5-7(9)6-1-3-10-4-2-6/h6-7H,1-5H2

InChIKey

WRLZHOBSOMYXBG-UHFFFAOYSA-N

Compound name

4-(2-bromo-1-fluoroethyl)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.00555 Da
Monoisotopic Mass: 2.0
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]+	211.01283	141.5
[M+Na]+	232.99477	149.8
[M-H]-	208.99827	146.1
[M+NH4]+	228.03937	162.2
[M+K]+	248.96871	141.3
[M+H-H2O]+	193.00281	141.1
[M+HCOO]-	255.00375	157.4
[M+CH3COO]-	269.01940	182.5
[M+Na-2H]-	230.98022	147.6
[M]+	210.00500	155.4
[M]-	210.00610	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.