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

381
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 118.0
[M+Na]+ 141.03223 125.3
[M-H]- 117.03573 120.9
[M+NH4]+ 136.07683 139.2
[M+K]+ 157.00617 126.1
[M+H-H2O]+ 101.04027 112.4
[M+HCOO]- 163.04121 138.3
[M+CH3COO]- 177.05686 167.2
[M+Na-2H]- 139.01768 125.3
[M]+ 118.04246 114.2
[M]- 118.04356 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