CID 81358381

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

Structural Information

Molecular Formula
C7H11FO3
SMILES
C1COCC1CC(C(=O)O)F
InChI
InChI=1S/C7H11FO3/c8-6(7(9)10)3-5-1-2-11-4-5/h5-6H,1-4H2,(H,9,10)
InChIKey
PHTIHFOCXSERAJ-UHFFFAOYSA-N
Compound name
2-fluoro-3-(oxolan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.06923 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07651 133.3
[M+Na]+ 185.05845 138.7
[M-H]- 161.06195 134.2
[M+NH4]+ 180.10305 153.2
[M+K]+ 201.03239 139.2
[M+H-H2O]+ 145.06649 127.5
[M+HCOO]- 207.06743 151.6
[M+CH3COO]- 221.08308 173.0
[M+Na-2H]- 183.04390 135.7
[M]+ 162.06868 130.1
[M]- 162.06978 130.1
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

No patent data available for this compound.