CID 119214

6-fluoromevalonate

Structural Information

Molecular Formula

SMILES

C1COC(=O)CC1(CF)O

InChI

InChI=1S/C6H9FO3/c7-4-6(9)1-2-10-5(8)3-6/h9H,1-4H2

InChIKey

DPPMVKMESJJAJZ-UHFFFAOYSA-N

Compound name

4-(fluoromethyl)-4-hydroxyoxan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 13
Patents: 148.05357 Da
Monoisotopic Mass: -0.3
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]+	149.06085	129.5
[M+Na]+	171.04279	139.3
[M+NH4]+	166.08739	138.2
[M+K]+	187.01673	133.1
[M-H]-	147.04629	129.9
[M+Na-2H]-	169.02824	134.2
[M]+	148.05302	130.8
[M]-	148.05412	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe