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

31
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

literature stripe

Patent stripe

patents stripe