CID 81357653

2-fluoro-3-(oxan-4-yl)propanoic acid

Structural Information

Molecular Formula
C8H13FO3
SMILES
C1COCCC1CC(C(=O)O)F
InChI
InChI=1S/C8H13FO3/c9-7(8(10)11)5-6-1-3-12-4-2-6/h6-7H,1-5H2,(H,10,11)
InChIKey
ZZYFPVFTMRZIAE-UHFFFAOYSA-N
Compound name
2-fluoro-3-(oxan-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08487 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09215 137.1
[M+Na]+ 199.07409 141.2
[M-H]- 175.07759 137.7
[M+NH4]+ 194.11869 154.7
[M+K]+ 215.04803 141.6
[M+H-H2O]+ 159.08213 130.7
[M+HCOO]- 221.08307 153.0
[M+CH3COO]- 235.09872 176.4
[M+Na-2H]- 197.05954 140.3
[M]+ 176.08432 132.3
[M]- 176.08542 132.3
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.