CID 40152266

1150617-60-9

Structural Information

Molecular Formula

C₇H₁₁FO₃

SMILES

COC(=O)C1(CCOCC1)F

InChI

InChI=1S/C7H11FO3/c1-10-6(9)7(8)2-4-11-5-3-7/h2-5H2,1H3

InChIKey

MMRSDRAYRVDTJH-UHFFFAOYSA-N

Compound name

methyl 4-fluorooxane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 162.06923 Da
Monoisotopic Mass: 0.7
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]+	163.07651	134.5
[M+Na]+	185.05845	144.0
[M+NH4]+	180.10305	143.3
[M+K]+	201.03239	137.8
[M-H]-	161.06195	135.2
[M+Na-2H]-	183.04390	139.4
[M]+	162.06868	135.9
[M]-	162.06978	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe