CID 165939349

4-(bromomethyl)-4-(fluoromethyl)oxane

Structural Information

Molecular Formula

C₇H₁₂BrFO

SMILES

C1COCCC1(CF)CBr

InChI

InChI=1S/C7H12BrFO/c8-5-7(6-9)1-3-10-4-2-7/h1-6H2

InChIKey

VMBGKTBJTGIXEL-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-4-(fluoromethyl)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.00555 Da
Monoisotopic Mass: 1.8
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	138.7
[M+Na]+	232.99477	148.0
[M-H]-	208.99827	143.7
[M+NH4]+	228.03937	161.4
[M+K]+	248.96871	139.5
[M+H-H2O]+	193.00281	139.2
[M+HCOO]-	255.00375	155.6
[M+CH3COO]-	269.01940	181.3
[M+Na-2H]-	230.98022	147.1
[M]+	210.00500	153.7
[M]-	210.00610	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.