CID 11126404

63141-03-7

Structural Information

Molecular Formula
C6H7FO3
SMILES
CC(=O)C1(CCOC1=O)F
InChI
InChI=1S/C6H7FO3/c1-4(8)6(7)2-3-10-5(6)9/h2-3H2,1H3
InChIKey
YJBYWKDEVMXEGG-UHFFFAOYSA-N
Compound name
3-acetyl-3-fluorooxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

146.03792 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04520 123.3
[M+Na]+ 169.02714 132.0
[M-H]- 145.03064 126.6
[M+NH4]+ 164.07174 147.1
[M+K]+ 185.00108 132.9
[M+H-H2O]+ 129.03518 119.1
[M+HCOO]- 191.03612 144.8
[M+CH3COO]- 205.05177 171.6
[M+Na-2H]- 167.01259 129.0
[M]+ 146.03737 122.4
[M]- 146.03847 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.