CID 119214

2822-77-7

Structural Information

Molecular Formula
C6H9FO3
SMILES
C1COC(=O)CC1(CF)O
InChI
InChI=1S/C6H9FO3/c7-4-6(9)1-2-10-5(8)3-6/h9H,1-4H2
InChIKey
DPPMVKMESJJAJZ-UHFFFAOYSA-N
Compound name
4-(fluoromethyl)-4-hydroxyoxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

12
Patents

148.05357 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.060846 125.8
[M+Na]+ 171.042788 133.1
[M-H]- 147.046294 127.4
[M+NH4]+ 166.087393 147.0
[M+K]+ 187.016728 133.5
[M+H-H2O]+ 131.050830 120.9
[M+HCOO]- 193.051771 144.4
[M+CH3COO]- 207.067421 169.2
[M+Na-2H]- 169.028236 133.2
[M]+ 148.05302142 122.3
[M]- 148.05411858 122.3
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