CID 12929516

3-bromotetrahydrofuran

Structural Information

Molecular Formula

SMILES

C1COCC1Br

InChI

InChI=1S/C4H7BrO/c5-4-1-2-6-3-4/h4H,1-3H2

InChIKey

NPZIPXHYLXTEAB-UHFFFAOYSA-N

Compound name

3-bromooxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 496
Patents: 149.96803 Da
Monoisotopic Mass: 1.0
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]+	150.97531	125.3
[M+Na]+	172.95725	136.2
[M-H]-	148.96075	132.0
[M+NH4]+	168.00185	150.3
[M+K]+	188.93119	128.5
[M+H-H2O]+	132.96529	126.7
[M+HCOO]-	194.96623	146.2
[M+CH3COO]-	208.98188	170.6
[M+Na-2H]-	170.94270	133.7
[M]+	149.96748	141.8
[M]-	149.96858	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe