CID 81358717

2-fluoro-2-(oxolan-3-yl)acetic acid

Structural Information

Molecular Formula
C6H9FO3
SMILES
C1COCC1C(C(=O)O)F
InChI
InChI=1S/C6H9FO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3H2,(H,8,9)
InChIKey
NBQWHWHXEDVJIW-UHFFFAOYSA-N
Compound name
2-fluoro-2-(oxolan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

148.05357 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.06085 131.1
[M+Na]+ 171.04279 138.6
[M+NH4]+ 166.08739 137.8
[M+K]+ 187.01673 137.4
[M-H]- 147.04629 130.2
[M+Na-2H]- 169.02824 132.6
[M]+ 148.05302 131.4
[M]- 148.05412 131.4
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