CID 11658332

141420-01-1

Structural Information

Molecular Formula

SMILES

COC(=O)C1(CCCC1=O)F

InChI

InChI=1S/C7H9FO3/c1-11-6(10)7(8)4-2-3-5(7)9/h2-4H2,1H3

InChIKey

QZEOPPWQOABLEC-UHFFFAOYSA-N

Compound name

methyl 1-fluoro-2-oxocyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 160.05357 Da
Monoisotopic Mass: 0.8
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]+	161.06085	129.0
[M+Na]+	183.04279	137.3
[M-H]-	159.04629	131.5
[M+NH4]+	178.08739	153.5
[M+K]+	199.01673	137.0
[M+H-H2O]+	143.05083	124.4
[M+HCOO]-	205.05177	151.1
[M+CH3COO]-	219.06742	173.9
[M+Na-2H]-	181.02824	133.0
[M]+	160.05302	127.7
[M]-	160.05412	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe