CID 10898763

Ethyl 2-fluoroisobutyrate

Structural Information

Molecular Formula

C₆H₁₁FO₂

SMILES

CCOC(=O)C(C)(C)F

InChI

InChI=1S/C6H11FO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3

InChIKey

CJRQQJKWNULSFQ-UHFFFAOYSA-N

Compound name

ethyl 2-fluoro-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 134.07431 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]+	135.081586	125.4
[M+Na]+	157.063528	133.4
[M-H]-	133.067034	124.9
[M+NH4]+	152.108133	147.7
[M+K]+	173.037468	134.0
[M+H-H2O]+	117.071570	120.9
[M+HCOO]-	179.072511	146.4
[M+CH3COO]-	193.088161	173.4
[M+Na-2H]-	155.048976	131.6
[M]+	134.07376142	126.6
[M]-	134.07485858	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe