CID 155973459

2648948-83-6

Structural Information

Molecular Formula
C7H9FO3
SMILES
C1CC2(CC1(CO2)F)C(=O)O
InChI
InChI=1S/C7H9FO3/c8-6-1-2-7(3-6,5(9)10)11-4-6/h1-4H2,(H,9,10)
InChIKey
TYPUMFSKSGWIPU-UHFFFAOYSA-N
Compound name
4-fluoro-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.05357 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.060846 130.3
[M+Na]+ 183.042788 138.7
[M-H]- 159.046294 131.5
[M+NH4]+ 178.087393 157.8
[M+K]+ 199.016728 138.2
[M+H-H2O]+ 143.050830 127.4
[M+HCOO]- 205.051771 148.6
[M+CH3COO]- 219.067421 171.0
[M+Na-2H]- 181.028236 137.1
[M]+ 160.05302142 128.8
[M]- 160.05411858 128.8
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.