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 128.5
[M+Na]+ 171.04279 134.3
[M-H]- 147.04629 129.6
[M+NH4]+ 166.08739 149.0
[M+K]+ 187.01673 135.1
[M+H-H2O]+ 131.05083 123.0
[M+HCOO]- 193.05177 147.2
[M+CH3COO]- 207.06742 170.0
[M+Na-2H]- 169.02824 131.5
[M]+ 148.05302 125.0
[M]- 148.05412 125.0
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