CID 23533602

624734-19-6

Structural Information

Molecular Formula
C5H7FO2
SMILES
C1COCC(C1=O)F
InChI
InChI=1S/C5H7FO2/c6-4-3-8-2-1-5(4)7/h4H,1-3H2
InChIKey
QORMSHMHGGKSSD-UHFFFAOYSA-N
Compound name
3-fluorooxan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

321
Patents

118.04301 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.050286 118.0
[M+Na]+ 141.032228 125.3
[M-H]- 117.035734 120.9
[M+NH4]+ 136.076833 139.2
[M+K]+ 157.006168 126.1
[M+H-H2O]+ 101.040270 112.4
[M+HCOO]- 163.041211 138.3
[M+CH3COO]- 177.056861 167.2
[M+Na-2H]- 139.017676 125.3
[M]+ 118.04246142 114.2
[M]- 118.04355858 114.2
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

patents stripe