CID 57939698

916069-77-7

Structural Information

Molecular Formula
C5H5FO2
SMILES
C1C(=CC(=O)O1)CF
InChI
InChI=1S/C5H5FO2/c6-2-4-1-5(7)8-3-4/h1H,2-3H2
InChIKey
FRTULIFOIVLWAE-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

116.02736 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.03464 116.0
[M+Na]+ 139.01658 125.3
[M-H]- 115.02008 119.3
[M+NH4]+ 134.06118 139.2
[M+K]+ 154.99052 125.8
[M+H-H2O]+ 99.024620 110.9
[M+HCOO]- 161.02556 139.8
[M+CH3COO]- 175.04121 166.6
[M+Na-2H]- 137.00203 123.0
[M]+ 116.02681 115.7
[M]- 116.02791 115.7
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