CID 44853

Propan-2-yl 2-fluorobutanoate

Structural Information

Molecular Formula

C₇H₁₃FO₂

SMILES

CCC(C(=O)OC(C)C)F

InChI

InChI=1S/C7H13FO2/c1-4-6(8)7(9)10-5(2)3/h5-6H,4H2,1-3H3

InChIKey

SIKPUIVEAYEIBW-UHFFFAOYSA-N

Compound name

propan-2-yl 2-fluorobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 148.08995 Da
Monoisotopic Mass: 2.2
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	132.8
[M+Na]+	171.07917	141.3
[M+NH4]+	166.12377	139.4
[M+K]+	187.05311	137.5
[M-H]-	147.08267	130.0
[M+Na-2H]-	169.06462	134.7
[M]+	148.08940	132.8
[M]-	148.09050	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe