CID 118884188

1877341-63-3

Structural Information

Molecular Formula

C₈H₁₁FO₃

SMILES

CCOC(=O)CC(=O)C1(CC1)F

InChI

InChI=1S/C8H11FO3/c1-2-12-7(11)5-6(10)8(9)3-4-8/h2-5H2,1H3

InChIKey

KTNSKRGYMFYHIM-UHFFFAOYSA-N

Compound name

ethyl 3-(1-fluorocyclopropyl)-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 174.06923 Da
Monoisotopic Mass: 1.1
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]+	175.07651	135.4
[M+Na]+	197.05845	144.5
[M-H]-	173.06195	138.9
[M+NH4]+	192.10305	152.6
[M+K]+	213.03239	143.7
[M+H-H2O]+	157.06649	130.0
[M+HCOO]-	219.06743	156.6
[M+CH3COO]-	233.08308	182.4
[M+Na-2H]-	195.04390	140.2
[M]+	174.06868	139.5
[M]-	174.06978	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe