CID 165994432

1-(2-bromoethoxy)-3-fluoropropane

Structural Information

Molecular Formula

C₅H₁₀BrFO

SMILES

C(COCCBr)CF

InChI

InChI=1S/C5H10BrFO/c6-2-5-8-4-1-3-7/h1-5H2

InChIKey

VJNVPTLPTKDBNZ-UHFFFAOYSA-N

Compound name

1-(2-bromoethoxy)-3-fluoropropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.98991 Da
Monoisotopic Mass: 1.5
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]+	184.99719	131.5
[M+Na]+	206.97913	142.6
[M-H]-	182.98263	133.2
[M+NH4]+	202.02373	154.9
[M+K]+	222.95307	132.9
[M+H-H2O]+	166.98717	131.5
[M+HCOO]-	228.98811	152.3
[M+CH3COO]-	243.00376	179.8
[M+Na-2H]-	204.96458	139.4
[M]+	183.98936	150.9
[M]-	183.99046	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.