CID 3046828

62741-32-6

Structural Information

Molecular Formula

C₅H₁₁FO₃

SMILES

COC(CO)(CF)OC

InChI

InChI=1S/C5H11FO3/c1-8-5(3-6,4-7)9-2/h7H,3-4H2,1-2H3

InChIKey

ZUKGMEYVHPXNTI-UHFFFAOYSA-N

Compound name

3-fluoro-2,2-dimethoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 138.06923 Da
Monoisotopic Mass: -0.4
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]+	139.07651	126.1
[M+Na]+	161.05845	133.8
[M-H]-	137.06195	124.0
[M+NH4]+	156.10305	147.4
[M+K]+	177.03239	134.3
[M+H-H2O]+	121.06649	121.5
[M+HCOO]-	183.06743	146.9
[M+CH3COO]-	197.08308	170.5
[M+Na-2H]-	159.04390	133.4
[M]+	138.06868	127.8
[M]-	138.06978	127.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.