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

353
Patents

118.04301 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05029 121.8
[M+Na]+ 141.03223 132.7
[M+NH4]+ 136.07683 130.2
[M+K]+ 157.00617 127.5
[M-H]- 117.03573 123.4
[M+Na-2H]- 139.01768 126.3
[M]+ 118.04246 123.6
[M]- 118.04356 123.6
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