CID 57939701

1-(tert-butoxy)-3-fluoropropan-2-one

Structural Information

Molecular Formula

C₇H₁₃FO₂

SMILES

CC(C)(C)OCC(=O)CF

InChI

InChI=1S/C7H13FO2/c1-7(2,3)10-5-6(9)4-8/h4-5H2,1-3H3

InChIKey

YLPLFJFPXNNLNP-UHFFFAOYSA-N

Compound name

1-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 148.08995 Da
Monoisotopic Mass: 1.2
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]+	149.09723	132.6
[M+Na]+	171.07917	141.5
[M+NH4]+	166.12377	139.3
[M+K]+	187.05311	137.3
[M-H]-	147.08267	129.5
[M+Na-2H]-	169.06462	135.2
[M]+	148.08940	132.7
[M]-	148.09050	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe